N-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide

C18H21NO2 — CID 105058775

IUPACN-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC(C)(CO)c2ccccc2)c1C
InChIInChI=1S/C18H21NO2/c1-13-8-7-11-16(14(13)2)17(21)19-18(3,12-20)15-9-5-4-6-10-15/h4-11,20H,12H2,1-3H3,(H,19,21)
InChIKeyDDPFJHYTWIJUBL-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.94
Rot. Bonds4

About N-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide

N-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide (PubChem CID 105058775) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide
PubChem CID105058775
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC(C)(CO)c2ccccc2)c1C
InChIInChI=1S/C18H21NO2/c1-13-8-7-11-16(14(13)2)17(21)19-18(3,12-20)15-9-5-4-6-10-15/h4-11,20H,12H2,1-3H3,(H,19,21)
InChIKeyDDPFJHYTWIJUBL-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

2,3-dimethyl-N-(2-phenylpropan-2-yl)benzamide
CID 47444747
5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide
CID 105057681
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dimethylbenzamide
CID 113346912
2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 105059808
N-(1-hydroxy-2-phenylpropan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 105058784
2-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 107984063
2,6-difluoro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105058990
N-(3-hydroxy-2-methylbutan-2-yl)-2,3-dimethylbenzamide
CID 113346953
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide
CID 105058932
N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058812
3,6-dichloro-N-(1-hydroxy-2-phenylpropan-2-yl)pyridazine-4-carboxamide
CID 105058953

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide?
The IUPAC name of N-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide (CID 105058775) is N-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide.
What is the SMILES notation for N-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide?
The canonical SMILES for N-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide is Cc1cccc(C(=O)NC(C)(CO)c2ccccc2)c1C.
What is the InChIKey of N-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide?
The InChIKey is DDPFJHYTWIJUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-8-7-11-16(14(13)2)17(21)19-18(3,12-20)15-9-5-4-6-10-15/h4-11,20H,12H2,1-3H3,(H,19,21).
What are the key properties of N-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide?
N-(1-hydroxy-2-phenylpropan-2-yl)-2,3-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-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide is sourced from PubChem (CID 105058775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).