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

C18H24N2O5 — CID 110497830

IUPAC2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-hydroxybutanoic acid
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)NC(C(=O)O)C(C)O)n2CC
InChIInChI=1S/C18H24N2O5/c1-5-20-14-8-7-12(25-6-2)9-13(14)10(3)16(20)17(22)19-15(11(4)21)18(23)24/h7-9,11,15,21H,5-6H2,1-4H3,(H,19,22)(H,23,24)
InChIKeyMDODVLFRMOAPTF-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.93
Rot. Bonds7

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

2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-hydroxybutanoic acid (PubChem CID 110497830) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-hydroxybutanoic acid
PubChem CID110497830
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-hydroxybutanoic acid
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)NC(C(=O)O)C(C)O)n2CC
InChIInChI=1S/C18H24N2O5/c1-5-20-14-8-7-12(25-6-2)9-13(14)10(3)16(20)17(22)19-15(11(4)21)18(23)24/h7-9,11,15,21H,5-6H2,1-4H3,(H,19,22)(H,23,24)
InChIKeyMDODVLFRMOAPTF-UHFFFAOYSA-N
XLogP1.93
TPSA100.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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]butanoic acid
CID 110497828
2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-4-methylpentanoic acid
CID 110497825
5-ethoxy-1-ethyl-3-methyl-N-(3-propan-2-yloxypropyl)indole-2-carboxamide
CID 110497818
5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide
CID 110502331
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
5-ethoxy-1-ethyl-N,3-dimethyl-N-phenylindole-2-carboxamide
CID 110499074
N-(3-chloro-4-fluorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide
CID 110502258

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-hydroxybutanoic acid (CID 110497830) is 2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-hydroxybutanoic acid is CCOc1ccc2c(c1)c(C)c(C(=O)NC(C(=O)O)C(C)O)n2CC.
What is the InChIKey of 2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-hydroxybutanoic acid?
The InChIKey is MDODVLFRMOAPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-5-20-14-8-7-12(25-6-2)9-13(14)10(3)16(20)17(22)19-15(11(4)21)18(23)24/h7-9,11,15,21H,5-6H2,1-4H3,(H,19,22)(H,23,24).
What are the key properties of 2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-hydroxybutanoic acid?
2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-hydroxybutanoic acid has a molecular weight of 348.40 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 110497830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).