2-(2-amino-2-oxoethyl)-6-[4-(3-methoxyphenyl)butanoyl]-1H-indole-3-carboxamide

C22H23N3O4 — CID 157118543

IUPAC2-(2-amino-2-oxoethyl)-6-[4-(3-methoxyphenyl)butanoyl]-1H-indole-3-carboxamide
SMILESCOc1cccc(CCCC(=O)c2ccc3c(C(N)=O)c(CC(N)=O)[nH]c3c2)c1
InChIInChI=1S/C22H23N3O4/c1-29-15-6-2-4-13(10-15)5-3-7-19(26)14-8-9-16-17(11-14)25-18(12-20(23)27)21(16)22(24)28/h2,4,6,8-11,25H,3,5,7,12H2,1H3,(H2,23,27)(H2,24,28)
InChIKeyAHRMJOQHIGRDQC-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.51
Rot. Bonds9

About 2-(2-amino-2-oxoethyl)-6-[4-(3-methoxyphenyl)butanoyl]-1H-indole-3-carboxamide

2-(2-amino-2-oxoethyl)-6-[4-(3-methoxyphenyl)butanoyl]-1H-indole-3-carboxamide (PubChem CID 157118543) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)-6-[4-(3-methoxyphenyl)butanoyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)-6-[4-(3-methoxyphenyl)butanoyl]-1H-indole-3-carboxamide
PubChem CID157118543
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-(2-amino-2-oxoethyl)-6-[4-(3-methoxyphenyl)butanoyl]-1H-indole-3-carboxamide
SMILESCOc1cccc(CCCC(=O)c2ccc3c(C(N)=O)c(CC(N)=O)[nH]c3c2)c1
InChIInChI=1S/C22H23N3O4/c1-29-15-6-2-4-13(10-15)5-3-7-19(26)14-8-9-16-17(11-14)25-18(12-20(23)27)21(16)22(24)28/h2,4,6,8-11,25H,3,5,7,12H2,1H3,(H2,23,27)(H2,24,28)
InChIKeyAHRMJOQHIGRDQC-UHFFFAOYSA-N
XLogP2.51
TPSA128.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 164679633
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1-(3-methoxyphenyl)tetradecan-1-one
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1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one
CID 24725838
N-hydroxy-8-(3-methoxyphenyl)octanamide
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1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one
CID 64504307
2,6-dichloro-4-[3-(3-methoxyphenyl)propanoyl]benzoic acid
CID 167567818
3-(3-methoxyphenyl)-1-(1-methylpyrrol-3-yl)propan-1-one
CID 95456132
1-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 43379572
4-fluoro-1-(3-methoxyphenyl)butan-1-one
CID 135043866
4-methoxy-1-(3-methoxyphenyl)butan-1-one
CID 62620743

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)-6-[4-(3-methoxyphenyl)butanoyl]-1H-indole-3-carboxamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)-6-[4-(3-methoxyphenyl)butanoyl]-1H-indole-3-carboxamide (CID 157118543) is 2-(2-amino-2-oxoethyl)-6-[4-(3-methoxyphenyl)butanoyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)-6-[4-(3-methoxyphenyl)butanoyl]-1H-indole-3-carboxamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)-6-[4-(3-methoxyphenyl)butanoyl]-1H-indole-3-carboxamide is COc1cccc(CCCC(=O)c2ccc3c(C(N)=O)c(CC(N)=O)[nH]c3c2)c1.
What is the InChIKey of 2-(2-amino-2-oxoethyl)-6-[4-(3-methoxyphenyl)butanoyl]-1H-indole-3-carboxamide?
The InChIKey is AHRMJOQHIGRDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-29-15-6-2-4-13(10-15)5-3-7-19(26)14-8-9-16-17(11-14)25-18(12-20(23)27)21(16)22(24)28/h2,4,6,8-11,25H,3,5,7,12H2,1H3,(H2,23,27)(H2,24,28).
What are the key properties of 2-(2-amino-2-oxoethyl)-6-[4-(3-methoxyphenyl)butanoyl]-1H-indole-3-carboxamide?
2-(2-amino-2-oxoethyl)-6-[4-(3-methoxyphenyl)butanoyl]-1H-indole-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.51, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)-6-[4-(3-methoxyphenyl)butanoyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 157118543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).