N-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylbenzamide

C16H24N2O3 — CID 103862344

IUPACN-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylbenzamide
SMILESCC(CO)CCCNC(=O)CN(C)C(=O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-13(12-19)7-6-10-17-15(20)11-18(2)16(21)14-8-4-3-5-9-14/h3-5,8-9,13,19H,6-7,10-12H2,1-2H3,(H,17,20)
InChIKeyUHXZSQJCHMYBFG-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.28
Rot. Bonds8

About N-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylbenzamide

N-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylbenzamide (PubChem CID 103862344) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylbenzamide
PubChem CID103862344
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylbenzamide
SMILESCC(CO)CCCNC(=O)CN(C)C(=O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-13(12-19)7-6-10-17-15(20)11-18(2)16(21)14-8-4-3-5-9-14/h3-5,8-9,13,19H,6-7,10-12H2,1-2H3,(H,17,20)
InChIKeyUHXZSQJCHMYBFG-UHFFFAOYSA-N
XLogP1.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-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

N-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 103862367
N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
CID 103862364
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide
CID 103862190
N-[1-[(5-hydroxy-4-methylpentyl)amino]-1-oxopropan-2-yl]benzamide
CID 103861524
N-(5-hydroxy-4-methylpentyl)-2-phenoxypropanamide
CID 103861668
N-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide
CID 106164142
N-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide
CID 103862326
(2S)-2-[[2-[benzoyl(methyl)amino]acetyl]amino]-4-hydroxybutanoic acid
CID 107821764
(2S)-2-amino-N-(5-hydroxy-4-methylpentyl)-4-phenylbutanamide
CID 106161296
2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 113340863
N-(4-hydroxy-3-methylbutyl)benzamide
CID 130383332

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of N-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylbenzamide (CID 103862344) is N-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylbenzamide is CC(CO)CCCNC(=O)CN(C)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylbenzamide?
The InChIKey is UHXZSQJCHMYBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13(12-19)7-6-10-17-15(20)11-18(2)16(21)14-8-4-3-5-9-14/h3-5,8-9,13,19H,6-7,10-12H2,1-2H3,(H,17,20).
What are the key properties of N-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylbenzamide?
N-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 103862344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).