N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-2-yl)-2-methylpropanamide

C21H24N2O2 — CID 19047777

IUPACN-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-2-yl)-2-methylpropanamide
SMILESCC(Cc1cc2ccccc2[nH]1)C(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C21H24N2O2/c1-15(11-18-13-17-9-5-6-10-20(17)22-18)21(25)23-19(14-24)12-16-7-3-2-4-8-16/h2-10,13,15,19,22,24H,11-12,14H2,1H3,(H,23,25)
InChIKeyZQDCIMLXXJUSDY-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.07
Rot. Bonds7

About N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-2-yl)-2-methylpropanamide

N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-2-yl)-2-methylpropanamide (PubChem CID 19047777) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-2-yl)-2-methylpropanamide
PubChem CID19047777
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-2-yl)-2-methylpropanamide
SMILESCC(Cc1cc2ccccc2[nH]1)C(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C21H24N2O2/c1-15(11-18-13-17-9-5-6-10-20(17)22-18)21(25)23-19(14-24)12-16-7-3-2-4-8-16/h2-10,13,15,19,22,24H,11-12,14H2,1H3,(H,23,25)
InChIKeyZQDCIMLXXJUSDY-UHFFFAOYSA-N
XLogP3.07
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-2-yl)-2-methylpropanoic acid
CID 22476899
(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpent-4-enamide
CID 10857796
(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-2-yl)propanoic acid
CID 14678463
3-[2-(1H-indol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122065768
1-(1H-indol-2-yl)-2-(iodoamino)-4-methylpentan-3-one
CID 176556183
(2R)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 79013366
(2S)-2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 10988719
2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55169772
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55168250
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
2-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
CID 55168822
(2S)-1-(1H-indol-2-yl)butan-2-ol;(2R)-3-(1H-indol-2-yl)propane-1,2-diol
CID 159659832

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-2-yl)-2-methylpropanamide?
The IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-2-yl)-2-methylpropanamide (CID 19047777) is N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-2-yl)-2-methylpropanamide is CC(Cc1cc2ccccc2[nH]1)C(=O)NC(CO)Cc1ccccc1.
What is the InChIKey of N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-2-yl)-2-methylpropanamide?
The InChIKey is ZQDCIMLXXJUSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(11-18-13-17-9-5-6-10-20(17)22-18)21(25)23-19(14-24)12-16-7-3-2-4-8-16/h2-10,13,15,19,22,24H,11-12,14H2,1H3,(H,23,25).
What are the key properties of N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-2-yl)-2-methylpropanamide?
N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-2-yl)-2-methylpropanamide has a molecular weight of 336.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-2-yl)-2-methylpropanamide is sourced from PubChem (CID 19047777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).