N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

C22H26N2O2 — CID 51959111

IUPACN-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC[C@H](NC(=O)c1ccc2c(c1)CCN2C(=O)CC)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-3-8-19(16-9-6-5-7-10-16)23-22(26)18-11-12-20-17(15-18)13-14-24(20)21(25)4-2/h5-7,9-12,15,19H,3-4,8,13-14H2,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyMVGPXIWJGDPGAU-IBGZPJMESA-N
MW350.46 g/mol
LogP4.26
Rot. Bonds6

About N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (PubChem CID 51959111) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
PubChem CID51959111
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC[C@H](NC(=O)c1ccc2c(c1)CCN2C(=O)CC)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-3-8-19(16-9-6-5-7-10-16)23-22(26)18-11-12-20-17(15-18)13-14-24(20)21(25)4-2/h5-7,9-12,15,19H,3-4,8,13-14H2,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyMVGPXIWJGDPGAU-IBGZPJMESA-N
XLogP4.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorobenzoyl)-N-(1-phenylpropyl)-2,3-dihydroindole-5-carboxamide
CID 71109938
1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 30886490
N-(2-hydroxy-2,5-dimethylhexyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111485199
1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide
CID 55497593
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55789611
N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55787282
N-[3-(N-methylanilino)propyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55787673
N-(1-benzylpiperidin-3-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55850896
3-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119218926
N-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111447607
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694
3-bromo-N-(1-phenylbutyl)benzamide
CID 60654945

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (CID 51959111) is N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is CCC[C@H](NC(=O)c1ccc2c(c1)CCN2C(=O)CC)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is MVGPXIWJGDPGAU-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-8-19(16-9-6-5-7-10-16)23-22(26)18-11-12-20-17(15-18)13-14-24(20)21(25)4-2/h5-7,9-12,15,19H,3-4,8,13-14H2,1-2H3,(H,23,26)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 51959111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).