N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide

C20H21N3O2 — CID 10830616

IUPACN-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
SMILESCN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H21N3O2/c1-23(2)20(25)18(12-14-8-4-3-5-9-14)22-19(24)17-13-15-10-6-7-11-16(15)21-17/h3-11,13,18,21H,12H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyQHLOERMHEQAPEA-SFHVURJKSA-N
MW335.41 g/mol
LogP2.60
Rot. Bonds5

About N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide

N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 10830616) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
PubChem CID10830616
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
SMILESCN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H21N3O2/c1-23(2)20(25)18(12-14-8-4-3-5-9-14)22-19(24)17-13-15-10-6-7-11-16(15)21-17/h3-11,13,18,21H,12H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyQHLOERMHEQAPEA-SFHVURJKSA-N
XLogP2.60
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide (CID 10830616) is N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide is CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is QHLOERMHEQAPEA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-23(2)20(25)18(12-14-8-4-3-5-9-14)22-19(24)17-13-15-10-6-7-11-16(15)21-17/h3-11,13,18,21H,12H2,1-2H3,(H,22,24)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide?
N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10830616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).