2-(2-amino-2-oxoethyl)-6-(4-phenylbutanoyl)-1H-indole-3-carboxamide

C21H21N3O3 — CID 161113640

IUPAC2-(2-amino-2-oxoethyl)-6-(4-phenylbutanoyl)-1H-indole-3-carboxamide
SMILESNC(=O)Cc1[nH]c2cc(C(=O)CCCc3ccccc3)ccc2c1C(N)=O
InChIInChI=1S/C21H21N3O3/c22-19(26)12-17-20(21(23)27)15-10-9-14(11-16(15)24-17)18(25)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-11,24H,4,7-8,12H2,(H2,22,26)(H2,23,27)
InChIKeyUKAIGYSQHKQHPN-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.50
Rot. Bonds8

About 2-(2-amino-2-oxoethyl)-6-(4-phenylbutanoyl)-1H-indole-3-carboxamide

2-(2-amino-2-oxoethyl)-6-(4-phenylbutanoyl)-1H-indole-3-carboxamide (PubChem CID 161113640) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)-6-(4-phenylbutanoyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)-6-(4-phenylbutanoyl)-1H-indole-3-carboxamide
PubChem CID161113640
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-(2-amino-2-oxoethyl)-6-(4-phenylbutanoyl)-1H-indole-3-carboxamide
SMILESNC(=O)Cc1[nH]c2cc(C(=O)CCCc3ccccc3)ccc2c1C(N)=O
InChIInChI=1S/C21H21N3O3/c22-19(26)12-17-20(21(23)27)15-10-9-14(11-16(15)24-17)18(25)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-11,24H,4,7-8,12H2,(H2,22,26)(H2,23,27)
InChIKeyUKAIGYSQHKQHPN-UHFFFAOYSA-N
XLogP2.50
TPSA119.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-2-oxoethyl)-6-[4-(3-methoxyphenyl)butanoyl]-1H-indole-3-carboxamide
CID 157118543
1-(3-methylphenyl)-4-phenylbutan-1-one
CID 54171094
1-(3-bromo-4-chlorophenyl)-4-phenylbutan-1-one
CID 115565858
5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one
CID 43338635
4-(4-benzoylphenyl)-1-phenylbutan-1-one
CID 15737707
4-(4-phenylbutanoyl)benzaldehyde
CID 19754534
2-(carbamoylamino)-6-(1-phenylethenyl)-1H-indole-3-carboxamide
CID 59189770
2-(2-amino-2-oxoethyl)-4-hydroxy-1H-indole-3-carboxamide
CID 58280297
1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one
CID 105093194
1-(2,6-dihydroxyphenyl)-4-phenylbutan-1-one
CID 140936056
2-amino-1-(9H-carbazol-2-yl)ethanone
CID 170860262
2-phenylacetamide;1-phenylhexan-1-one
CID 174766102

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)-6-(4-phenylbutanoyl)-1H-indole-3-carboxamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)-6-(4-phenylbutanoyl)-1H-indole-3-carboxamide (CID 161113640) is 2-(2-amino-2-oxoethyl)-6-(4-phenylbutanoyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)-6-(4-phenylbutanoyl)-1H-indole-3-carboxamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)-6-(4-phenylbutanoyl)-1H-indole-3-carboxamide is NC(=O)Cc1[nH]c2cc(C(=O)CCCc3ccccc3)ccc2c1C(N)=O.
What is the InChIKey of 2-(2-amino-2-oxoethyl)-6-(4-phenylbutanoyl)-1H-indole-3-carboxamide?
The InChIKey is UKAIGYSQHKQHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c22-19(26)12-17-20(21(23)27)15-10-9-14(11-16(15)24-17)18(25)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-11,24H,4,7-8,12H2,(H2,22,26)(H2,23,27).
What are the key properties of 2-(2-amino-2-oxoethyl)-6-(4-phenylbutanoyl)-1H-indole-3-carboxamide?
2-(2-amino-2-oxoethyl)-6-(4-phenylbutanoyl)-1H-indole-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)-6-(4-phenylbutanoyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 161113640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).