N-[2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-oxoethyl]-1H-indole-2-carboxamide

C20H21N3O3 — CID 166394366

IUPACN-[2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-oxoethyl]-1H-indole-2-carboxamide
SMILESCC(CO)(NC(=O)CNC(=O)c1cc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-20(13-24,15-8-3-2-4-9-15)23-18(25)12-21-19(26)17-11-14-7-5-6-10-16(14)22-17/h2-11,22,24H,12-13H2,1H3,(H,21,26)(H,23,25)
InChIKeyOHXBACKOQDSCLA-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.92
Rot. Bonds6

About N-[2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-oxoethyl]-1H-indole-2-carboxamide

N-[2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-oxoethyl]-1H-indole-2-carboxamide (PubChem CID 166394366) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-oxoethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-oxoethyl]-1H-indole-2-carboxamide
PubChem CID166394366
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-oxoethyl]-1H-indole-2-carboxamide
SMILESCC(CO)(NC(=O)CNC(=O)c1cc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-20(13-24,15-8-3-2-4-9-15)23-18(25)12-21-19(26)17-11-14-7-5-6-10-16(14)22-17/h2-11,22,24H,12-13H2,1H3,(H,21,26)(H,23,25)
InChIKeyOHXBACKOQDSCLA-UHFFFAOYSA-N
XLogP1.92
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid
CID 81370075
N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058812
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-1H-indole-2-carboxamide
CID 95773944
3-amino-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058260
N-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide
CID 90599873
1-[2-(1H-indole-2-carbonylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257010
3-(1H-indole-2-carbonylamino)-2-methoxypropanoic acid
CID 114144333
5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide
CID 118425264
N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700
N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide
CID 34509270

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-oxoethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-oxoethyl]-1H-indole-2-carboxamide (CID 166394366) is N-[2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-oxoethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-oxoethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-oxoethyl]-1H-indole-2-carboxamide is CC(CO)(NC(=O)CNC(=O)c1cc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of N-[2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-oxoethyl]-1H-indole-2-carboxamide?
The InChIKey is OHXBACKOQDSCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-20(13-24,15-8-3-2-4-9-15)23-18(25)12-21-19(26)17-11-14-7-5-6-10-16(14)22-17/h2-11,22,24H,12-13H2,1H3,(H,21,26)(H,23,25).
What are the key properties of N-[2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-oxoethyl]-1H-indole-2-carboxamide?
N-[2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-oxoethyl]-1H-indole-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.92, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-oxoethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 166394366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).