3-[4-(hydroxymethyl)phenyl]-N-propan-2-ylbenzamide

C17H19NO2 — CID 39782664

IUPAC3-[4-(hydroxymethyl)phenyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(-c2ccc(CO)cc2)c1
InChIInChI=1S/C17H19NO2/c1-12(2)18-17(20)16-5-3-4-15(10-16)14-8-6-13(11-19)7-9-14/h3-10,12,19H,11H2,1-2H3,(H,18,20)
InChIKeyWDXPHHQBCCFGTM-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.98
Rot. Bonds4

About 3-[4-(hydroxymethyl)phenyl]-N-propan-2-ylbenzamide

3-[4-(hydroxymethyl)phenyl]-N-propan-2-ylbenzamide (PubChem CID 39782664) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)phenyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)phenyl]-N-propan-2-ylbenzamide
PubChem CID39782664
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-[4-(hydroxymethyl)phenyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(-c2ccc(CO)cc2)c1
InChIInChI=1S/C17H19NO2/c1-12(2)18-17(20)16-5-3-4-15(10-16)14-8-6-13(11-19)7-9-14/h3-10,12,19H,11H2,1-2H3,(H,18,20)
InChIKeyWDXPHHQBCCFGTM-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide
CID 172740220
N-(1-amino-1-oxopropan-2-yl)-3-[5-[4-(hydroxymethyl)phenyl]-1,2-oxazol-3-yl]benzamide
CID 77196408
N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride
CID 172776403
3-[(4-phenylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197336
3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylbenzamide
CID 46385925
(2S)-2-[[3-(4-ethylphenyl)benzoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 58717530
3-chloro-N-propan-2-ylbenzamide
CID 669184
3-(125I)iodo-N-propan-2-yl(125I)benzamide
CID 177469648
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
(2S)-2-[[3-(4-methylsulfonylphenyl)benzoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 58717714
N-propan-2-yl-3-[5-[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide
CID 53324197
3-(4,5-dihydro-1,3-oxazol-2-yl)-N-propan-2-ylbenzamide
CID 173139178

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)phenyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[4-(hydroxymethyl)phenyl]-N-propan-2-ylbenzamide (CID 39782664) is 3-[4-(hydroxymethyl)phenyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[4-(hydroxymethyl)phenyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[4-(hydroxymethyl)phenyl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(-c2ccc(CO)cc2)c1.
What is the InChIKey of 3-[4-(hydroxymethyl)phenyl]-N-propan-2-ylbenzamide?
The InChIKey is WDXPHHQBCCFGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12(2)18-17(20)16-5-3-4-15(10-16)14-8-6-13(11-19)7-9-14/h3-10,12,19H,11H2,1-2H3,(H,18,20).
What are the key properties of 3-[4-(hydroxymethyl)phenyl]-N-propan-2-ylbenzamide?
3-[4-(hydroxymethyl)phenyl]-N-propan-2-ylbenzamide has a molecular weight of 269.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)phenyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 39782664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).