4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide

C15H23NO2 — CID 113343131

IUPAC4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
SMILESCCCCc1ccc(C(=O)N(C)C(C)CO)cc1
InChIInChI=1S/C15H23NO2/c1-4-5-6-13-7-9-14(10-8-13)15(18)16(3)12(2)11-17/h7-10,12,17H,4-6,11H2,1-3H3
InChIKeyRIJQUHNUKDMZJT-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.48
Rot. Bonds6

About 4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide

4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide (PubChem CID 113343131) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
PubChem CID113343131
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
SMILESCCCCc1ccc(C(=O)N(C)C(C)CO)cc1
InChIInChI=1S/C15H23NO2/c1-4-5-6-13-7-9-14(10-8-13)15(18)16(3)12(2)11-17/h7-10,12,17H,4-6,11H2,1-3H3
InChIKeyRIJQUHNUKDMZJT-UHFFFAOYSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(bromomethyl)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 102852055
4-(dimethylamino)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 113344177
N-(1-hydroxypropan-2-yl)-N-methyl-4-sulfanylbenzamide
CID 107034868
N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide
CID 115765134
4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765131
4-butyl-N,N-diethylbenzamide
CID 60675001
N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide
CID 112548221
4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919954
4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772047
4-(4-butylphenoxy)-N,N-dimethylbenzamide
CID 146305996
(2S)-2-[[4-[4-[(4-butylphenyl)carbamoylamino]phenyl]benzoyl]-methylamino]propanoic acid
CID 59150995
3,4-dihydroxy-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 103956182

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The IUPAC name of 4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide (CID 113343131) is 4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide is CCCCc1ccc(C(=O)N(C)C(C)CO)cc1.
What is the InChIKey of 4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The InChIKey is RIJQUHNUKDMZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-5-6-13-7-9-14(10-8-13)15(18)16(3)12(2)11-17/h7-10,12,17H,4-6,11H2,1-3H3.
What are the key properties of 4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide has a molecular weight of 249.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 113343131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).