ethyl 3-[ethyl-(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]propanoate

C23H32N2O3 — CID 110498940

IUPACethyl 3-[ethyl-(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]propanoate
SMILESC=CCn1c(C(=O)N(CC)CCC(=O)OCC)c(C)c2cc(C(C)C)ccc21
InChIInChI=1S/C23H32N2O3/c1-7-13-25-20-11-10-18(16(4)5)15-19(20)17(6)22(25)23(27)24(8-2)14-12-21(26)28-9-3/h7,10-11,15-16H,1,8-9,12-14H2,2-6H3
InChIKeyNRSAILSVVRMMLX-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.67
Rot. Bonds9

About ethyl 3-[ethyl-(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]propanoate

ethyl 3-[ethyl-(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]propanoate (PubChem CID 110498940) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is ethyl 3-[ethyl-(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[ethyl-(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]propanoate
PubChem CID110498940
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Nameethyl 3-[ethyl-(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]propanoate
SMILESC=CCn1c(C(=O)N(CC)CCC(=O)OCC)c(C)c2cc(C(C)C)ccc21
InChIInChI=1S/C23H32N2O3/c1-7-13-25-20-11-10-18(16(4)5)15-19(20)17(6)22(25)23(27)24(8-2)14-12-21(26)28-9-3/h7,10-11,15-16H,1,8-9,12-14H2,2-6H3
InChIKeyNRSAILSVVRMMLX-UHFFFAOYSA-N
XLogP4.67
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[ethyl-(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]propanoic acid
CID 110498942
3-[(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)-propylamino]propanoic acid
CID 110498943
N,N-bis(2-hydroxyethyl)-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110498884
N-[2-(diethylamino)ethyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110497608
N-(2-hydroxyethyl)-N,3-dimethyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110498914
N-[(4-chlorophenyl)methyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110497639
4-O-ethyl 2-O-(2-methoxyethyl) 3-methyl-5-[(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]thiophene-2,4-dicarboxylate
CID 110503834
methyl 3-[(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]thiophene-2-carboxylate
CID 110502035
N-[(2-fluorophenyl)methyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110497642
N-(3,4-difluorophenyl)-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110501995
3-methyl-5-propan-2-yl-1-prop-2-enyl-N-[2-(4-sulfamoylphenyl)ethyl]indole-2-carboxamide
CID 110497638
(2-methylpiperidin-1-yl)-(3-methyl-5-propan-2-yl-1-prop-2-enylindol-2-yl)methanone
CID 110498899

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[ethyl-(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-[ethyl-(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]propanoate (CID 110498940) is ethyl 3-[ethyl-(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[ethyl-(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-[ethyl-(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]propanoate is C=CCn1c(C(=O)N(CC)CCC(=O)OCC)c(C)c2cc(C(C)C)ccc21.
What is the InChIKey of ethyl 3-[ethyl-(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]propanoate?
The InChIKey is NRSAILSVVRMMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-7-13-25-20-11-10-18(16(4)5)15-19(20)17(6)22(25)23(27)24(8-2)14-12-21(26)28-9-3/h7,10-11,15-16H,1,8-9,12-14H2,2-6H3.
What are the key properties of ethyl 3-[ethyl-(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]propanoate?
ethyl 3-[ethyl-(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]propanoate has a molecular weight of 384.52 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[ethyl-(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]propanoate is sourced from PubChem (CID 110498940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).