3-hydroxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide

C14H21NO2 — CID 55000398

IUPAC3-hydroxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide
SMILESCC(C)CN(C(=O)c1cccc(O)c1)C(C)C
InChIInChI=1S/C14H21NO2/c1-10(2)9-15(11(3)4)14(17)12-6-5-7-13(16)8-12/h5-8,10-11,16H,9H2,1-4H3
InChIKeyKGGVNGZBYNZMMK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.90
Rot. Bonds4

About 3-hydroxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide

3-hydroxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide (PubChem CID 55000398) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-hydroxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide
PubChem CID55000398
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-hydroxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide
SMILESCC(C)CN(C(=O)c1cccc(O)c1)C(C)C
InChIInChI=1S/C14H21NO2/c1-10(2)9-15(11(3)4)14(17)12-6-5-7-13(16)8-12/h5-8,10-11,16H,9H2,1-4H3
InChIKeyKGGVNGZBYNZMMK-UHFFFAOYSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-hydroxyphenyl)-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 55000494
3-hydroxy-4-iodo-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 113434719
N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide
CID 80665697
N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide
CID 23588517
2-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridine-4-carboxamide
CID 103755064
N-[2,6-di(propan-2-yl)phenyl]-3-hydroxy-N-(3-hydroxybenzoyl)benzamide
CID 177222127
3,5-dimethoxy-N-(2-methylpropyl)-4-phenylmethoxy-N-propan-2-ylbenzamide
CID 55602174
2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 55133359
3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 110025600
3-chloro-N-(2-methylpropyl)-4-nitro-N-propan-2-ylbenzamide
CID 82780952
3-hydroxy-N-methyl-N-(2-methylsulfanyl-2-sulfanylethyl)benzamide
CID 123688287
N-(2-methylpropyl)-N-propan-2-yl-1H-indole-2-carboxamide
CID 55026359

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-hydroxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide (CID 55000398) is 3-hydroxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-hydroxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-hydroxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide is CC(C)CN(C(=O)c1cccc(O)c1)C(C)C.
What is the InChIKey of 3-hydroxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide?
The InChIKey is KGGVNGZBYNZMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)9-15(11(3)4)14(17)12-6-5-7-13(16)8-12/h5-8,10-11,16H,9H2,1-4H3.
What are the key properties of 3-hydroxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide?
3-hydroxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide has a molecular weight of 235.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 55000398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).