3-[3-[1,3-bis(2-methylbutoxy)propan-2-yloxy]propylsulfanyl]-N-ethylpropanamide;1-ethoxy-2-methylbutane;N-ethyl-N'-[5-(2-methylbutoxy)pentyl]butanediamide;N-(2-methoxyethyl)propanamide;1-methoxypropane;methyl acetate;N-[2-(2-methylbutoxy)ethyl]propanamide;1-(2-methylbutoxy)pentane;2-methylbutyl N-ethylcarbamate;[3-(methylcarbamoyloxy)-2-(2-oxopropoxy)propyl] N-methylcarbamate;methyl N-[7-(methoxycarbonylamino)-2-oxoheptan-3-yl]carbamate

C106H218N10O29S — CID 158398682

About 3-[3-[1,3-bis(2-methylbutoxy)propan-2-yloxy]propylsulfanyl]-N-ethylpropanamide;1-ethoxy-2-methylbutane;N-ethyl-N'-[5-(2-methylbutoxy)pentyl]butanediamide;N-(2-methoxyethyl)propanamide;1-methoxypropane;methyl acetate;N-[2-(2-methylbutoxy)ethyl]propanamide;1-(2-methylbutoxy)pentane;2-methylbutyl N-ethylcarbamate;[3-(methylcarbamoyloxy)-2-(2-oxopropoxy)propyl] N-methylcarbamate;methyl N-[7-(methoxycarbonylamino)-2-oxoheptan-3-yl]carbamate

3-[3-[1,3-bis(2-methylbutoxy)propan-2-yloxy]propylsulfanyl]-N-ethylpropanamide;1-ethoxy-2-methylbutane;N-ethyl-N'-[5-(2-methylbutoxy)pentyl]butanediamide;N-(2-methoxyethyl)propanamide;1-methoxypropane;methyl acetate;N-[2-(2-methylbutoxy)ethyl]propanamide;1-(2-methylbutoxy)pentane;2-methylbutyl N-ethylcarbamate;[3-(methylcarbamoyloxy)-2-(2-oxopropoxy)propyl] N-methylcarbamate;methyl N-[7-(methoxycarbonylamino)-2-oxoheptan-3-yl]carbamate (PubChem CID 158398682) has the molecular formula C106H218N10O29S and a molecular weight of 2129.02 g/mol. Its IUPAC name is 3-[3-[1,3-bis(2-methylbutoxy)propan-2-yloxy]propylsulfanyl]-N-ethylpropanamide;1-ethoxy-2-methylbutane;N-ethyl-N'-[5-(2-methylbutoxy)pentyl]butanediamide;N-(2-methoxyethyl)propanamide;1-methoxypropane;methyl acetate;N-[2-(2-methylbutoxy)ethyl]propanamide;1-(2-methylbutoxy)pentane;2-methylbutyl N-ethylcarbamate;[3-(methylcarbamoyloxy)-2-(2-oxopropoxy)propyl] N-methylcarbamate;methyl N-[7-(methoxycarbonylamino)-2-oxoheptan-3-yl]carbamate.

Molecular Properties

• Compound Name: 3-[3-[1,3-bis(2-methylbutoxy)propan-2-yloxy]propylsulfanyl]-N-ethylpropanamide;1-ethoxy-2-methylbutane;N-ethyl-N'-[5-(2-methylbutoxy)pentyl]butanediamide;N-(2-methoxyethyl)propanamide;1-methoxypropane;methyl acetate;N-[2-(2-methylbutoxy)ethyl]propanamide;1-(2-methylbutoxy)pentane;2-methylbutyl N-ethylcarbamate;[3-(methylcarbamoyloxy)-2-(2-oxopropoxy)propyl] N-methylcarbamate;methyl N-[7-(methoxycarbonylamino)-2-oxoheptan-3-yl]carbamate
• PubChem CID: 158398682
• Molecular Formula: C106H218N10O29S
• Molecular Weight: 2129.02 g/mol
• Exact Mass: 2127.56
• IUPAC Name: 3-[3-[1,3-bis(2-methylbutoxy)propan-2-yloxy]propylsulfanyl]-N-ethylpropanamide;1-ethoxy-2-methylbutane;N-ethyl-N'-[5-(2-methylbutoxy)pentyl]butanediamide;N-(2-methoxyethyl)propanamide;1-methoxypropane;methyl acetate;N-[2-(2-methylbutoxy)ethyl]propanamide;1-(2-methylbutoxy)pentane;2-methylbutyl N-ethylcarbamate;[3-(methylcarbamoyloxy)-2-(2-oxopropoxy)propyl] N-methylcarbamate;methyl N-[7-(methoxycarbonylamino)-2-oxoheptan-3-yl]carbamate
• SMILES: CCC(=O)NCCOC.CCC(=O)NCCOCC(C)CC.CCCCCOCC(C)CC.CCCOC.CCNC(=O)CCC(=O)NCCCCCOCC(C)CC.CCNC(=O)CCSCCCOC(COCC(C)CC)COCC(C)CC.CCNC(=O)OCC(C)CC.CCOCC(C)CC.CNC(=O)OCC(COC(=O)NC)OCC(C)=O.COC(=O)NCCCCC(NC(=O)OC)C(C)=O.COC(C)=O
• InChI: InChI=1S/C21H43NO4S.C16H32N2O3.C11H20N2O5.C10H18N2O6.C10H21NO2.C10H22O.C8H17NO2.C7H16O.C6H13NO2.C4H10O.C3H6O2/c1-6-18(4)14-24-16-20(17-25-15-19(5)7-2)26-11-9-12-27-13-10-21(23)22-8-3;1-4-14(3)13-21-12-8-6-7-11-18-16(20)10-9-15(19)17-5-2;1-8(14)9(13-11(16)18-3)6-4-5-7-12-10(15)17-2;1-7(13)4-16-8(5-17-9(14)11-2)6-18-10(15)12-3;1-4-9(3)8-13-7-6-11-10(12)5-2;1-4-6-7-8-11-9-10(3)5-2;1-4-7(3)6-11-8(10)9-5-2;1-4-7(3)6-8-5-2;1-3-6(8)7-4-5-9-2;1-3-4-5-2;1-3(4)5-2/h18-20H,6-17H2,1-5H3,(H,22,23);14H,4-13H2,1-3H3,(H,17,19)(H,18,20);9H,4-7H2,1-3H3,(H,12,15)(H,13,16);8H,4-6H2,1-3H3,(H,11,14)(H,12,15);9H,4-8H2,1-3H3,(H,11,12);10H,4-9H2,1-3H3;7H,4-6H2,1-3H3,(H,9,10);7H,4-6H2,1-3H3;3-5H2,1-2H3,(H,7,8);3-4H2,1-2H3;1-2H3
• InChIKey: GXVKVDJHSJDSKZ-UHFFFAOYSA-N
• XLogP: 16.94
• TPSA: 489.89 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 74
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2129.02
LogP ≤ 5	16.94
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1,3-bis(2-methylbutoxy)propan-2-yloxy]propylsulfanyl]-N-ethylpropanamide;1-ethoxy-2-methylbutane;N-ethyl-N'-[5-(2-methylbutoxy)pentyl]butanediamide;N-(2-methoxyethyl)propanamide;1-methoxypropane;methyl acetate;N-[2-(2-methylbutoxy)ethyl]propanamide;1-(2-methylbutoxy)pentane;2-methylbutyl N-ethylcarbamate;[3-(methylcarbamoyloxy)-2-(2-oxopropoxy)propyl] N-methylcarbamate;methyl N-[7-(methoxycarbonylamino)-2-oxoheptan-3-yl]carbamate?

The IUPAC name of 3-[3-[1,3-bis(2-methylbutoxy)propan-2-yloxy]propylsulfanyl]-N-ethylpropanamide;1-ethoxy-2-methylbutane;N-ethyl-N'-[5-(2-methylbutoxy)pentyl]butanediamide;N-(2-methoxyethyl)propanamide;1-methoxypropane;methyl acetate;N-[2-(2-methylbutoxy)ethyl]propanamide;1-(2-methylbutoxy)pentane;2-methylbutyl N-ethylcarbamate;[3-(methylcarbamoyloxy)-2-(2-oxopropoxy)propyl] N-methylcarbamate;methyl N-[7-(methoxycarbonylamino)-2-oxoheptan-3-yl]carbamate (CID 158398682) is 3-[3-[1,3-bis(2-methylbutoxy)propan-2-yloxy]propylsulfanyl]-N-ethylpropanamide;1-ethoxy-2-methylbutane;N-ethyl-N'-[5-(2-methylbutoxy)pentyl]butanediamide;N-(2-methoxyethyl)propanamide;1-methoxypropane;methyl acetate;N-[2-(2-methylbutoxy)ethyl]propanamide;1-(2-methylbutoxy)pentane;2-methylbutyl N-ethylcarbamate;[3-(methylcarbamoyloxy)-2-(2-oxopropoxy)propyl] N-methylcarbamate;methyl N-[7-(methoxycarbonylamino)-2-oxoheptan-3-yl]carbamate.

What is the SMILES notation for 3-[3-[1,3-bis(2-methylbutoxy)propan-2-yloxy]propylsulfanyl]-N-ethylpropanamide;1-ethoxy-2-methylbutane;N-ethyl-N'-[5-(2-methylbutoxy)pentyl]butanediamide;N-(2-methoxyethyl)propanamide;1-methoxypropane;methyl acetate;N-[2-(2-methylbutoxy)ethyl]propanamide;1-(2-methylbutoxy)pentane;2-methylbutyl N-ethylcarbamate;[3-(methylcarbamoyloxy)-2-(2-oxopropoxy)propyl] N-methylcarbamate;methyl N-[7-(methoxycarbonylamino)-2-oxoheptan-3-yl]carbamate?

The canonical SMILES for 3-[3-[1,3-bis(2-methylbutoxy)propan-2-yloxy]propylsulfanyl]-N-ethylpropanamide;1-ethoxy-2-methylbutane;N-ethyl-N'-[5-(2-methylbutoxy)pentyl]butanediamide;N-(2-methoxyethyl)propanamide;1-methoxypropane;methyl acetate;N-[2-(2-methylbutoxy)ethyl]propanamide;1-(2-methylbutoxy)pentane;2-methylbutyl N-ethylcarbamate;[3-(methylcarbamoyloxy)-2-(2-oxopropoxy)propyl] N-methylcarbamate;methyl N-[7-(methoxycarbonylamino)-2-oxoheptan-3-yl]carbamate is CCC(=O)NCCOC.CCC(=O)NCCOCC(C)CC.CCCCCOCC(C)CC.CCCOC.CCNC(=O)CCC(=O)NCCCCCOCC(C)CC.CCNC(=O)CCSCCCOC(COCC(C)CC)COCC(C)CC.CCNC(=O)OCC(C)CC.CCOCC(C)CC.CNC(=O)OCC(COC(=O)NC)OCC(C)=O.COC(=O)NCCCCC(NC(=O)OC)C(C)=O.COC(C)=O.

What is the InChIKey of 3-[3-[1,3-bis(2-methylbutoxy)propan-2-yloxy]propylsulfanyl]-N-ethylpropanamide;1-ethoxy-2-methylbutane;N-ethyl-N'-[5-(2-methylbutoxy)pentyl]butanediamide;N-(2-methoxyethyl)propanamide;1-methoxypropane;methyl acetate;N-[2-(2-methylbutoxy)ethyl]propanamide;1-(2-methylbutoxy)pentane;2-methylbutyl N-ethylcarbamate;[3-(methylcarbamoyloxy)-2-(2-oxopropoxy)propyl] N-methylcarbamate;methyl N-[7-(methoxycarbonylamino)-2-oxoheptan-3-yl]carbamate?

The InChIKey is GXVKVDJHSJDSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO4S.C16H32N2O3.C11H20N2O5.C10H18N2O6.C10H21NO2.C10H22O.C8H17NO2.C7H16O.C6H13NO2.C4H10O.C3H6O2/c1-6-18(4)14-24-16-20(17-25-15-19(5)7-2)26-11-9-12-27-13-10-21(23)22-8-3;1-4-14(3)13-21-12-8-6-7-11-18-16(20)10-9-15(19)17-5-2;1-8(14)9(13-11(16)18-3)6-4-5-7-12-10(15)17-2;1-7(13)4-16-8(5-17-9(14)11-2)6-18-10(15)12-3;1-4-9(3)8-13-7-6-11-10(12)5-2;1-4-6-7-8-11-9-10(3)5-2;1-4-7(3)6-11-8(10)9-5-2;1-4-7(3)6-8-5-2;1-3-6(8)7-4-5-9-2;1-3-4-5-2;1-3(4)5-2/h18-20H,6-17H2,1-5H3,(H,22,23);14H,4-13H2,1-3H3,(H,17,19)(H,18,20);9H,4-7H2,1-3H3,(H,12,15)(H,13,16);8H,4-6H2,1-3H3,(H,11,14)(H,12,15);9H,4-8H2,1-3H3,(H,11,12);10H,4-9H2,1-3H3;7H,4-6H2,1-3H3,(H,9,10);7H,4-6H2,1-3H3;3-5H2,1-2H3,(H,7,8);3-4H2,1-2H3;1-2H3.

What are the key properties of 3-[3-[1,3-bis(2-methylbutoxy)propan-2-yloxy]propylsulfanyl]-N-ethylpropanamide;1-ethoxy-2-methylbutane;N-ethyl-N'-[5-(2-methylbutoxy)pentyl]butanediamide;N-(2-methoxyethyl)propanamide;1-methoxypropane;methyl acetate;N-[2-(2-methylbutoxy)ethyl]propanamide;1-(2-methylbutoxy)pentane;2-methylbutyl N-ethylcarbamate;[3-(methylcarbamoyloxy)-2-(2-oxopropoxy)propyl] N-methylcarbamate;methyl N-[7-(methoxycarbonylamino)-2-oxoheptan-3-yl]carbamate?

3-[3-[1,3-bis(2-methylbutoxy)propan-2-yloxy]propylsulfanyl]-N-ethylpropanamide;1-ethoxy-2-methylbutane;N-ethyl-N'-[5-(2-methylbutoxy)pentyl]butanediamide;N-(2-methoxyethyl)propanamide;1-methoxypropane;methyl acetate;N-[2-(2-methylbutoxy)ethyl]propanamide;1-(2-methylbutoxy)pentane;2-methylbutyl N-ethylcarbamate;[3-(methylcarbamoyloxy)-2-(2-oxopropoxy)propyl] N-methylcarbamate;methyl N-[7-(methoxycarbonylamino)-2-oxoheptan-3-yl]carbamate has a molecular weight of 2129.02 g/mol, XLogP of 16.94, 74 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[1,3-bis(2-methylbutoxy)propan-2-yloxy]propylsulfanyl]-N-ethylpropanamide;1-ethoxy-2-methylbutane;N-ethyl-N'-[5-(2-methylbutoxy)pentyl]butanediamide;N-(2-methoxyethyl)propanamide;1-methoxypropane;methyl acetate;N-[2-(2-methylbutoxy)ethyl]propanamide;1-(2-methylbutoxy)pentane;2-methylbutyl N-ethylcarbamate;[3-(methylcarbamoyloxy)-2-(2-oxopropoxy)propyl] N-methylcarbamate;methyl N-[7-(methoxycarbonylamino)-2-oxoheptan-3-yl]carbamate is sourced from PubChem (CID 158398682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).