2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]butanoic acid

C18H24N2O4 — CID 110497828

IUPAC2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]butanoic acid
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)NC(CC)C(=O)O)n2CC
InChIInChI=1S/C18H24N2O4/c1-5-14(18(22)23)19-17(21)16-11(4)13-10-12(24-7-3)8-9-15(13)20(16)6-2/h8-10,14H,5-7H2,1-4H3,(H,19,21)(H,22,23)
InChIKeyQDQIJOSPIBBEBG-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.96
Rot. Bonds7

About 2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]butanoic acid

2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]butanoic acid (PubChem CID 110497828) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]butanoic acid
PubChem CID110497828
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]butanoic acid
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)NC(CC)C(=O)O)n2CC
InChIInChI=1S/C18H24N2O4/c1-5-14(18(22)23)19-17(21)16-11(4)13-10-12(24-7-3)8-9-15(13)20(16)6-2/h8-10,14H,5-7H2,1-4H3,(H,19,21)(H,22,23)
InChIKeyQDQIJOSPIBBEBG-UHFFFAOYSA-N
XLogP2.96
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-4-methylpentanoic acid
CID 110497825
2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 110497830
2-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]butanoic acid
CID 110497523
5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide
CID 110502331
5-ethoxy-1-ethyl-3-methyl-N-(3-propan-2-yloxypropyl)indole-2-carboxamide
CID 110497818
2-[(5-chloro-1-ethyl-3-methylindole-2-carbonyl)amino]pentanoic acid
CID 110497722
5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide
CID 110503961
N-(3,4-dichlorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide
CID 110502266
5-ethoxy-1-ethyl-3-methyl-N-(2-phenoxyphenyl)indole-2-carboxamide
CID 110502299
5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)indole-2-carboxamide
CID 110504039
5-ethoxy-1-ethyl-N-[(2-fluorophenyl)methyl]-3-methylindole-2-carboxamide
CID 110497845
dimethyl 5-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 110503972

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]butanoic acid (CID 110497828) is 2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]butanoic acid is CCOc1ccc2c(c1)c(C)c(C(=O)NC(CC)C(=O)O)n2CC.
What is the InChIKey of 2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]butanoic acid?
The InChIKey is QDQIJOSPIBBEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-5-14(18(22)23)19-17(21)16-11(4)13-10-12(24-7-3)8-9-15(13)20(16)6-2/h8-10,14H,5-7H2,1-4H3,(H,19,21)(H,22,23).
What are the key properties of 2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]butanoic acid?
2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]butanoic acid has a molecular weight of 332.40 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 110497828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).