N-[(2R)-1-oxo-5-phenylpentan-2-yl]-1H-indole-4-carboxamide

C20H20N2O2 — CID 173354341

IUPACN-[(2R)-1-oxo-5-phenylpentan-2-yl]-1H-indole-4-carboxamide
SMILESO=C[C@@H](CCCc1ccccc1)NC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C20H20N2O2/c23-14-16(9-4-8-15-6-2-1-3-7-15)22-20(24)18-10-5-11-19-17(18)12-13-21-19/h1-3,5-7,10-14,16,21H,4,8-9H2,(H,22,24)/t16-/m1/s1
InChIKeyVLJDDDIQLMHXQQ-MRXNPFEDSA-N
MW320.39 g/mol
LogP3.49
Rot. Bonds7

About N-[(2R)-1-oxo-5-phenylpentan-2-yl]-1H-indole-4-carboxamide

N-[(2R)-1-oxo-5-phenylpentan-2-yl]-1H-indole-4-carboxamide (PubChem CID 173354341) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(2R)-1-oxo-5-phenylpentan-2-yl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-oxo-5-phenylpentan-2-yl]-1H-indole-4-carboxamide
PubChem CID173354341
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[(2R)-1-oxo-5-phenylpentan-2-yl]-1H-indole-4-carboxamide
SMILESO=C[C@@H](CCCc1ccccc1)NC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C20H20N2O2/c23-14-16(9-4-8-15-6-2-1-3-7-15)22-20(24)18-10-5-11-19-17(18)12-13-21-19/h1-3,5-7,10-14,16,21H,4,8-9H2,(H,22,24)/t16-/m1/s1
InChIKeyVLJDDDIQLMHXQQ-MRXNPFEDSA-N
XLogP3.49
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide
CID 57228537
N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide
CID 63010445
4-fluoro-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide
CID 173354336
N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide
CID 81043314
3-iodo-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide
CID 173354070
(2S)-2-(1H-indole-4-carbonylamino)propanoic acid
CID 93286189
1H-indole-4-carbohydrazide
CID 43316644
N-[(2S)-4-oxo-4-phenylbutan-2-yl]-1H-indole-4-carboxamide
CID 97086507
2-(1H-indole-4-carbonylamino)-3,3-dimethylbutanoic acid
CID 43467273
N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide
CID 115674677
methyl (2S)-3-hydroxy-2-(1H-indole-4-carbonylamino)propanoate
CID 152504979
N-(1-cyclopropylbutan-2-yl)-1H-indole-4-carboxamide
CID 63995977

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-5-phenylpentan-2-yl]-1H-indole-4-carboxamide?
The IUPAC name of N-[(2R)-1-oxo-5-phenylpentan-2-yl]-1H-indole-4-carboxamide (CID 173354341) is N-[(2R)-1-oxo-5-phenylpentan-2-yl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-oxo-5-phenylpentan-2-yl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[(2R)-1-oxo-5-phenylpentan-2-yl]-1H-indole-4-carboxamide is O=C[C@@H](CCCc1ccccc1)NC(=O)c1cccc2[nH]ccc12.
What is the InChIKey of N-[(2R)-1-oxo-5-phenylpentan-2-yl]-1H-indole-4-carboxamide?
The InChIKey is VLJDDDIQLMHXQQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-14-16(9-4-8-15-6-2-1-3-7-15)22-20(24)18-10-5-11-19-17(18)12-13-21-19/h1-3,5-7,10-14,16,21H,4,8-9H2,(H,22,24)/t16-/m1/s1.
What are the key properties of N-[(2R)-1-oxo-5-phenylpentan-2-yl]-1H-indole-4-carboxamide?
N-[(2R)-1-oxo-5-phenylpentan-2-yl]-1H-indole-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxo-5-phenylpentan-2-yl]-1H-indole-4-carboxamide is sourced from PubChem (CID 173354341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).