butan-1-ol;3-butyl-1H-indole;N,N-dimethylbutanamide;N,N-dimethylpropan-1-amine;ethanol;1-ethoxy-2-methoxyethane;1-ethylimidazole;5-ethyl-1H-imidazole;3-ethyl-1H-indole;ethyl propanoate;2-ethylpyridine;3-ethylpyridine;methoxyethane;methyl butanoate;methyl pentanoate;1-methyl-4-propylimidazole;1-methyl-4-propylpiperazine;1-(4-methylsulfonylphenyl)butan-1-one;propan-1-ol;5-propyl-1,3-benzodioxole;2-propylguanidine;5-propyl-1H-imidazole;3-propyl-1H-indole;4-propylmorpholine;1-propylpiperidine;3-propylpyridine;4-propylpyridine;propylurea

C185H324N26O21S — CID 159568277

About butan-1-ol;3-butyl-1H-indole;N,N-dimethylbutanamide;N,N-dimethylpropan-1-amine;ethanol;1-ethoxy-2-methoxyethane;1-ethylimidazole;5-ethyl-1H-imidazole;3-ethyl-1H-indole;ethyl propanoate;2-ethylpyridine;3-ethylpyridine;methoxyethane;methyl butanoate;methyl pentanoate;1-methyl-4-propylimidazole;1-methyl-4-propylpiperazine;1-(4-methylsulfonylphenyl)butan-1-one;propan-1-ol;5-propyl-1,3-benzodioxole;2-propylguanidine;5-propyl-1H-imidazole;3-propyl-1H-indole;4-propylmorpholine;1-propylpiperidine;3-propylpyridine;4-propylpyridine;propylurea

butan-1-ol;3-butyl-1H-indole;N,N-dimethylbutanamide;N,N-dimethylpropan-1-amine;ethanol;1-ethoxy-2-methoxyethane;1-ethylimidazole;5-ethyl-1H-imidazole;3-ethyl-1H-indole;ethyl propanoate;2-ethylpyridine;3-ethylpyridine;methoxyethane;methyl butanoate;methyl pentanoate;1-methyl-4-propylimidazole;1-methyl-4-propylpiperazine;1-(4-methylsulfonylphenyl)butan-1-one;propan-1-ol;5-propyl-1,3-benzodioxole;2-propylguanidine;5-propyl-1H-imidazole;3-propyl-1H-indole;4-propylmorpholine;1-propylpiperidine;3-propylpyridine;4-propylpyridine;propylurea (PubChem CID 159568277) has the molecular formula C185H324N26O21S and a molecular weight of 3280.85 g/mol. Its IUPAC name is butan-1-ol;3-butyl-1H-indole;N,N-dimethylbutanamide;N,N-dimethylpropan-1-amine;ethanol;1-ethoxy-2-methoxyethane;1-ethylimidazole;5-ethyl-1H-imidazole;3-ethyl-1H-indole;ethyl propanoate;2-ethylpyridine;3-ethylpyridine;methoxyethane;methyl butanoate;methyl pentanoate;1-methyl-4-propylimidazole;1-methyl-4-propylpiperazine;1-(4-methylsulfonylphenyl)butan-1-one;propan-1-ol;5-propyl-1,3-benzodioxole;2-propylguanidine;5-propyl-1H-imidazole;3-propyl-1H-indole;4-propylmorpholine;1-propylpiperidine;3-propylpyridine;4-propylpyridine;propylurea.

Molecular Properties

• Compound Name: butan-1-ol;3-butyl-1H-indole;N,N-dimethylbutanamide;N,N-dimethylpropan-1-amine;ethanol;1-ethoxy-2-methoxyethane;1-ethylimidazole;5-ethyl-1H-imidazole;3-ethyl-1H-indole;ethyl propanoate;2-ethylpyridine;3-ethylpyridine;methoxyethane;methyl butanoate;methyl pentanoate;1-methyl-4-propylimidazole;1-methyl-4-propylpiperazine;1-(4-methylsulfonylphenyl)butan-1-one;propan-1-ol;5-propyl-1,3-benzodioxole;2-propylguanidine;5-propyl-1H-imidazole;3-propyl-1H-indole;4-propylmorpholine;1-propylpiperidine;3-propylpyridine;4-propylpyridine;propylurea
• PubChem CID: 159568277
• Molecular Formula: C185H324N26O21S
• Molecular Weight: 3280.85 g/mol
• Exact Mass: 3278.48
• IUPAC Name: butan-1-ol;3-butyl-1H-indole;N,N-dimethylbutanamide;N,N-dimethylpropan-1-amine;ethanol;1-ethoxy-2-methoxyethane;1-ethylimidazole;5-ethyl-1H-imidazole;3-ethyl-1H-indole;ethyl propanoate;2-ethylpyridine;3-ethylpyridine;methoxyethane;methyl butanoate;methyl pentanoate;1-methyl-4-propylimidazole;1-methyl-4-propylpiperazine;1-(4-methylsulfonylphenyl)butan-1-one;propan-1-ol;5-propyl-1,3-benzodioxole;2-propylguanidine;5-propyl-1H-imidazole;3-propyl-1H-indole;4-propylmorpholine;1-propylpiperidine;3-propylpyridine;4-propylpyridine;propylurea
• SMILES: CCCC(=O)N(C)C.CCCC(=O)OC.CCCC(=O)c1ccc(S(C)(=O)=O)cc1.CCCCC(=O)OC.CCCCO.CCCCc1c[nH]c2ccccc12.CCCN(C)C.CCCN1CCCCC1.CCCN1CCN(C)CC1.CCCN1CCOCC1.CCCN=C(N)N.CCCNC(N)=O.CCCO.CCCc1c[nH]c2ccccc12.CCCc1ccc2c(c1)OCO2.CCCc1cccnc1.CCCc1ccncc1.CCCc1cn(C)cn1.CCCc1cnc[nH]1.CCO.CCOC.CCOC.CCOC(=O)CC.CCOCCOC.CCc1c[nH]c2ccccc12.CCc1ccccn1.CCc1cccnc1.CCc1cnc[nH]1.CCn1ccnc1
• InChI: InChI=1S/C12H15N.C11H13N.C11H14O3S.C10H11N.C10H12O2.C8H18N2.C8H17N.2C8H11N.C7H12N2.C7H15NO.2C7H9N.C6H10N2.C6H13NO.C6H12O2.2C5H8N2.C5H13N.C5H12O2.2C5H10O2.C4H11N3.C4H10N2O.C4H10O.3C3H8O.C2H6O/c1-2-3-6-10-9-13-12-8-5-4-7-11(10)12;1-2-5-9-8-12-11-7-4-3-6-10(9)11;1-3-4-11(12)9-5-7-10(8-6-9)15(2,13)14;1-2-8-7-11-10-6-4-3-5-9(8)10;1-2-3-8-4-5-9-10(6-8)12-7-11-9;1-3-4-10-7-5-9(2)6-8-10;1-2-6-9-7-4-3-5-8-9;1-2-4-8-5-3-6-9-7-8;1-2-3-8-4-6-9-7-5-8;1-3-4-7-5-9(2)6-8-7;1-2-3-8-4-6-9-7-5-8;1-2-7-4-3-5-8-6-7;1-2-7-5-3-4-6-8-7;1-2-3-6-4-7-5-8-6;1-4-5-6(8)7(2)3;1-3-4-5-6(7)8-2;1-2-5-3-6-4-7-5;1-2-7-4-3-6-5-7;1-4-5-6(2)3;1-3-7-5-4-6-2;1-3-4-5(6)7-2;1-3-5(6)7-4-2;1-2-3-7-4(5)6;1-2-3-6-4(5)7;1-2-3-4-5;2*1-3-4-2;1-2-3-4;1-2-3/h4-5,7-9,13H,2-3,6H2,1H3;3-4,6-8,12H,2,5H2,1H3;5-8H,3-4H2,1-2H3;3-7,11H,2H2,1H3;4-6H,2-3,7H2,1H3;3-8H2,1-2H3;2-8H2,1H3;3,5-7H,2,4H2,1H3;4-7H,2-3H2,1H3;5-6H,3-4H2,1-2H3;2-7H2,1H3;2*3-6H,2H2,1H3;4-5H,2-3H2,1H3,(H,7,8);4-5H2,1-3H3;3-5H2,1-2H3;3-4H,2H2,1H3,(H,6,7);3-5H,2H2,1H3;4-5H2,1-3H3;3-5H2,1-2H3;2*3-4H2,1-2H3;2-3H2,1H3,(H4,5,6,7);2-3H2,1H3,(H3,5,6,7);5H,2-4H2,1H3;2*3H2,1-2H3;4H,2-3H2,1H3;3H,2H2,1H3
• InChIKey: MHMFMQTZTZMHSE-UHFFFAOYSA-N
• XLogP: 37.00
• TPSA: 603.37 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 37
• Rotatable Bonds: 54
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3280.85
LogP ≤ 5	37.00
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;3-butyl-1H-indole;N,N-dimethylbutanamide;N,N-dimethylpropan-1-amine;ethanol;1-ethoxy-2-methoxyethane;1-ethylimidazole;5-ethyl-1H-imidazole;3-ethyl-1H-indole;ethyl propanoate;2-ethylpyridine;3-ethylpyridine;methoxyethane;methyl butanoate;methyl pentanoate;1-methyl-4-propylimidazole;1-methyl-4-propylpiperazine;1-(4-methylsulfonylphenyl)butan-1-one;propan-1-ol;5-propyl-1,3-benzodioxole;2-propylguanidine;5-propyl-1H-imidazole;3-propyl-1H-indole;4-propylmorpholine;1-propylpiperidine;3-propylpyridine;4-propylpyridine;propylurea?

The IUPAC name of butan-1-ol;3-butyl-1H-indole;N,N-dimethylbutanamide;N,N-dimethylpropan-1-amine;ethanol;1-ethoxy-2-methoxyethane;1-ethylimidazole;5-ethyl-1H-imidazole;3-ethyl-1H-indole;ethyl propanoate;2-ethylpyridine;3-ethylpyridine;methoxyethane;methyl butanoate;methyl pentanoate;1-methyl-4-propylimidazole;1-methyl-4-propylpiperazine;1-(4-methylsulfonylphenyl)butan-1-one;propan-1-ol;5-propyl-1,3-benzodioxole;2-propylguanidine;5-propyl-1H-imidazole;3-propyl-1H-indole;4-propylmorpholine;1-propylpiperidine;3-propylpyridine;4-propylpyridine;propylurea (CID 159568277) is butan-1-ol;3-butyl-1H-indole;N,N-dimethylbutanamide;N,N-dimethylpropan-1-amine;ethanol;1-ethoxy-2-methoxyethane;1-ethylimidazole;5-ethyl-1H-imidazole;3-ethyl-1H-indole;ethyl propanoate;2-ethylpyridine;3-ethylpyridine;methoxyethane;methyl butanoate;methyl pentanoate;1-methyl-4-propylimidazole;1-methyl-4-propylpiperazine;1-(4-methylsulfonylphenyl)butan-1-one;propan-1-ol;5-propyl-1,3-benzodioxole;2-propylguanidine;5-propyl-1H-imidazole;3-propyl-1H-indole;4-propylmorpholine;1-propylpiperidine;3-propylpyridine;4-propylpyridine;propylurea.

What is the SMILES notation for butan-1-ol;3-butyl-1H-indole;N,N-dimethylbutanamide;N,N-dimethylpropan-1-amine;ethanol;1-ethoxy-2-methoxyethane;1-ethylimidazole;5-ethyl-1H-imidazole;3-ethyl-1H-indole;ethyl propanoate;2-ethylpyridine;3-ethylpyridine;methoxyethane;methyl butanoate;methyl pentanoate;1-methyl-4-propylimidazole;1-methyl-4-propylpiperazine;1-(4-methylsulfonylphenyl)butan-1-one;propan-1-ol;5-propyl-1,3-benzodioxole;2-propylguanidine;5-propyl-1H-imidazole;3-propyl-1H-indole;4-propylmorpholine;1-propylpiperidine;3-propylpyridine;4-propylpyridine;propylurea?

The canonical SMILES for butan-1-ol;3-butyl-1H-indole;N,N-dimethylbutanamide;N,N-dimethylpropan-1-amine;ethanol;1-ethoxy-2-methoxyethane;1-ethylimidazole;5-ethyl-1H-imidazole;3-ethyl-1H-indole;ethyl propanoate;2-ethylpyridine;3-ethylpyridine;methoxyethane;methyl butanoate;methyl pentanoate;1-methyl-4-propylimidazole;1-methyl-4-propylpiperazine;1-(4-methylsulfonylphenyl)butan-1-one;propan-1-ol;5-propyl-1,3-benzodioxole;2-propylguanidine;5-propyl-1H-imidazole;3-propyl-1H-indole;4-propylmorpholine;1-propylpiperidine;3-propylpyridine;4-propylpyridine;propylurea is CCCC(=O)N(C)C.CCCC(=O)OC.CCCC(=O)c1ccc(S(C)(=O)=O)cc1.CCCCC(=O)OC.CCCCO.CCCCc1c[nH]c2ccccc12.CCCN(C)C.CCCN1CCCCC1.CCCN1CCN(C)CC1.CCCN1CCOCC1.CCCN=C(N)N.CCCNC(N)=O.CCCO.CCCc1c[nH]c2ccccc12.CCCc1ccc2c(c1)OCO2.CCCc1cccnc1.CCCc1ccncc1.CCCc1cn(C)cn1.CCCc1cnc[nH]1.CCO.CCOC.CCOC.CCOC(=O)CC.CCOCCOC.CCc1c[nH]c2ccccc12.CCc1ccccn1.CCc1cccnc1.CCc1cnc[nH]1.CCn1ccnc1.

What is the InChIKey of butan-1-ol;3-butyl-1H-indole;N,N-dimethylbutanamide;N,N-dimethylpropan-1-amine;ethanol;1-ethoxy-2-methoxyethane;1-ethylimidazole;5-ethyl-1H-imidazole;3-ethyl-1H-indole;ethyl propanoate;2-ethylpyridine;3-ethylpyridine;methoxyethane;methyl butanoate;methyl pentanoate;1-methyl-4-propylimidazole;1-methyl-4-propylpiperazine;1-(4-methylsulfonylphenyl)butan-1-one;propan-1-ol;5-propyl-1,3-benzodioxole;2-propylguanidine;5-propyl-1H-imidazole;3-propyl-1H-indole;4-propylmorpholine;1-propylpiperidine;3-propylpyridine;4-propylpyridine;propylurea?

The InChIKey is MHMFMQTZTZMHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C11H13N.C11H14O3S.C10H11N.C10H12O2.C8H18N2.C8H17N.2C8H11N.C7H12N2.C7H15NO.2C7H9N.C6H10N2.C6H13NO.C6H12O2.2C5H8N2.C5H13N.C5H12O2.2C5H10O2.C4H11N3.C4H10N2O.C4H10O.3C3H8O.C2H6O/c1-2-3-6-10-9-13-12-8-5-4-7-11(10)12;1-2-5-9-8-12-11-7-4-3-6-10(9)11;1-3-4-11(12)9-5-7-10(8-6-9)15(2,13)14;1-2-8-7-11-10-6-4-3-5-9(8)10;1-2-3-8-4-5-9-10(6-8)12-7-11-9;1-3-4-10-7-5-9(2)6-8-10;1-2-6-9-7-4-3-5-8-9;1-2-4-8-5-3-6-9-7-8;1-2-3-8-4-6-9-7-5-8;1-3-4-7-5-9(2)6-8-7;1-2-3-8-4-6-9-7-5-8;1-2-7-4-3-5-8-6-7;1-2-7-5-3-4-6-8-7;1-2-3-6-4-7-5-8-6;1-4-5-6(8)7(2)3;1-3-4-5-6(7)8-2;1-2-5-3-6-4-7-5;1-2-7-4-3-6-5-7;1-4-5-6(2)3;1-3-7-5-4-6-2;1-3-4-5(6)7-2;1-3-5(6)7-4-2;1-2-3-7-4(5)6;1-2-3-6-4(5)7;1-2-3-4-5;2*1-3-4-2;1-2-3-4;1-2-3/h4-5,7-9,13H,2-3,6H2,1H3;3-4,6-8,12H,2,5H2,1H3;5-8H,3-4H2,1-2H3;3-7,11H,2H2,1H3;4-6H,2-3,7H2,1H3;3-8H2,1-2H3;2-8H2,1H3;3,5-7H,2,4H2,1H3;4-7H,2-3H2,1H3;5-6H,3-4H2,1-2H3;2-7H2,1H3;2*3-6H,2H2,1H3;4-5H,2-3H2,1H3,(H,7,8);4-5H2,1-3H3;3-5H2,1-2H3;3-4H,2H2,1H3,(H,6,7);3-5H,2H2,1H3;4-5H2,1-3H3;3-5H2,1-2H3;2*3-4H2,1-2H3;2-3H2,1H3,(H4,5,6,7);2-3H2,1H3,(H3,5,6,7);5H,2-4H2,1H3;2*3H2,1-2H3;4H,2-3H2,1H3;3H,2H2,1H3.

What are the key properties of butan-1-ol;3-butyl-1H-indole;N,N-dimethylbutanamide;N,N-dimethylpropan-1-amine;ethanol;1-ethoxy-2-methoxyethane;1-ethylimidazole;5-ethyl-1H-imidazole;3-ethyl-1H-indole;ethyl propanoate;2-ethylpyridine;3-ethylpyridine;methoxyethane;methyl butanoate;methyl pentanoate;1-methyl-4-propylimidazole;1-methyl-4-propylpiperazine;1-(4-methylsulfonylphenyl)butan-1-one;propan-1-ol;5-propyl-1,3-benzodioxole;2-propylguanidine;5-propyl-1H-imidazole;3-propyl-1H-indole;4-propylmorpholine;1-propylpiperidine;3-propylpyridine;4-propylpyridine;propylurea?

butan-1-ol;3-butyl-1H-indole;N,N-dimethylbutanamide;N,N-dimethylpropan-1-amine;ethanol;1-ethoxy-2-methoxyethane;1-ethylimidazole;5-ethyl-1H-imidazole;3-ethyl-1H-indole;ethyl propanoate;2-ethylpyridine;3-ethylpyridine;methoxyethane;methyl butanoate;methyl pentanoate;1-methyl-4-propylimidazole;1-methyl-4-propylpiperazine;1-(4-methylsulfonylphenyl)butan-1-one;propan-1-ol;5-propyl-1,3-benzodioxole;2-propylguanidine;5-propyl-1H-imidazole;3-propyl-1H-indole;4-propylmorpholine;1-propylpiperidine;3-propylpyridine;4-propylpyridine;propylurea has a molecular weight of 3280.85 g/mol, XLogP of 37.00, 54 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for butan-1-ol;3-butyl-1H-indole;N,N-dimethylbutanamide;N,N-dimethylpropan-1-amine;ethanol;1-ethoxy-2-methoxyethane;1-ethylimidazole;5-ethyl-1H-imidazole;3-ethyl-1H-indole;ethyl propanoate;2-ethylpyridine;3-ethylpyridine;methoxyethane;methyl butanoate;methyl pentanoate;1-methyl-4-propylimidazole;1-methyl-4-propylpiperazine;1-(4-methylsulfonylphenyl)butan-1-one;propan-1-ol;5-propyl-1,3-benzodioxole;2-propylguanidine;5-propyl-1H-imidazole;3-propyl-1H-indole;4-propylmorpholine;1-propylpiperidine;3-propylpyridine;4-propylpyridine;propylurea is sourced from PubChem (CID 159568277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).