N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide

C18H21NO2 — CID 111334967

IUPACN-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(C)(O)c2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-13-9-14(2)11-15(10-13)17(20)19-12-18(3,21)16-7-5-4-6-8-16/h4-11,21H,12H2,1-3H3,(H,19,20)
InChIKeyNGCYDPARZNDSDE-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.94
Rot. Bonds4

About N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide

N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide (PubChem CID 111334967) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide
PubChem CID111334967
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(C)(O)c2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-13-9-14(2)11-15(10-13)17(20)19-12-18(3,21)16-7-5-4-6-8-16/h4-11,21H,12H2,1-3H3,(H,19,20)
InChIKeyNGCYDPARZNDSDE-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962
3-[(3,5-dimethylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66171951
3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111944
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012
3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95367981
N-(2-hydroxy-2-phenylpropyl)-3-methyl-4-nitrobenzamide
CID 111334968
N-(2-hydroxy-2-phenylpropyl)-2-methylbenzamide
CID 110663960
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide
CID 110291494
N-[2-(4-bromophenyl)-2-hydroxypropyl]-3-methylbenzamide
CID 110291619
3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 110663941
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]benzamide
CID 95982841
N-(1-bromo-2-phenylpropan-2-yl)-3,5-dimethylbenzamide
CID 105059975

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide (CID 111334967) is N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC(C)(O)c2ccccc2)c1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide?
The InChIKey is NGCYDPARZNDSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-9-14(2)11-15(10-13)17(20)19-12-18(3,21)16-7-5-4-6-8-16/h4-11,21H,12H2,1-3H3,(H,19,20).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide?
N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide has a molecular weight of 283.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide is sourced from PubChem (CID 111334967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).