3-hydroxy-N,2-dimethyl-N-(2-methylpropyl)benzamide

C13H19NO2 — CID 82829951

IUPAC3-hydroxy-N,2-dimethyl-N-(2-methylpropyl)benzamide
SMILESCc1c(O)cccc1C(=O)N(C)CC(C)C
InChIInChI=1S/C13H19NO2/c1-9(2)8-14(4)13(16)11-6-5-7-12(15)10(11)3/h5-7,9,15H,8H2,1-4H3
InChIKeyKDGGERQXUXGEJN-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.43
Rot. Bonds3

About 3-hydroxy-N,2-dimethyl-N-(2-methylpropyl)benzamide

3-hydroxy-N,2-dimethyl-N-(2-methylpropyl)benzamide (PubChem CID 82829951) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-hydroxy-N,2-dimethyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N,2-dimethyl-N-(2-methylpropyl)benzamide
PubChem CID82829951
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-hydroxy-N,2-dimethyl-N-(2-methylpropyl)benzamide
SMILESCc1c(O)cccc1C(=O)N(C)CC(C)C
InChIInChI=1S/C13H19NO2/c1-9(2)8-14(4)13(16)11-6-5-7-12(15)10(11)3/h5-7,9,15H,8H2,1-4H3
InChIKeyKDGGERQXUXGEJN-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829304
N-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 82830028
N-[2-(dimethylamino)ethyl]-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 82829732
N-(2-amino-2-oxoethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829163
3-bromo-N-(2-bromopropyl)-N,2-dimethylbenzamide
CID 80666003
3-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzamide
CID 113475336
N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829035
N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82828965
[2-fluoro-3-[methyl(2-methylpropyl)carbamoyl]phenyl]boronic acid
CID 140918757
N-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82827016
3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 82786543
3-[(3-fluoro-2-methylbenzoyl)-methylamino]-2-methylpropanoic acid
CID 122107756

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,2-dimethyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-hydroxy-N,2-dimethyl-N-(2-methylpropyl)benzamide (CID 82829951) is 3-hydroxy-N,2-dimethyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-hydroxy-N,2-dimethyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-hydroxy-N,2-dimethyl-N-(2-methylpropyl)benzamide is Cc1c(O)cccc1C(=O)N(C)CC(C)C.
What is the InChIKey of 3-hydroxy-N,2-dimethyl-N-(2-methylpropyl)benzamide?
The InChIKey is KDGGERQXUXGEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(2)8-14(4)13(16)11-6-5-7-12(15)10(11)3/h5-7,9,15H,8H2,1-4H3.
What are the key properties of 3-hydroxy-N,2-dimethyl-N-(2-methylpropyl)benzamide?
3-hydroxy-N,2-dimethyl-N-(2-methylpropyl)benzamide has a molecular weight of 221.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,2-dimethyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 82829951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).