N-[1-[(5-hydroxy-4-methylpentyl)amino]-1-oxopropan-2-yl]benzamide

C16H24N2O3 — CID 103861524

IUPACN-[1-[(5-hydroxy-4-methylpentyl)amino]-1-oxopropan-2-yl]benzamide
SMILESCC(CO)CCCNC(=O)C(C)NC(=O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-12(11-19)7-6-10-17-15(20)13(2)18-16(21)14-8-4-3-5-9-14/h3-5,8-9,12-13,19H,6-7,10-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyLSDBXEVXUZSYSZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.33
Rot. Bonds8

About N-[1-[(5-hydroxy-4-methylpentyl)amino]-1-oxopropan-2-yl]benzamide

N-[1-[(5-hydroxy-4-methylpentyl)amino]-1-oxopropan-2-yl]benzamide (PubChem CID 103861524) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[1-[(5-hydroxy-4-methylpentyl)amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(5-hydroxy-4-methylpentyl)amino]-1-oxopropan-2-yl]benzamide
PubChem CID103861524
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[1-[(5-hydroxy-4-methylpentyl)amino]-1-oxopropan-2-yl]benzamide
SMILESCC(CO)CCCNC(=O)C(C)NC(=O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-12(11-19)7-6-10-17-15(20)13(2)18-16(21)14-8-4-3-5-9-14/h3-5,8-9,12-13,19H,6-7,10-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyLSDBXEVXUZSYSZ-UHFFFAOYSA-N
XLogP1.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-[(5-hydroxy-4-methylpentyl)amino]-1-oxopropan-2-yl]benzamide 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-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide
CID 71491154
N-[(2S)-1-[8-[[(2S)-2-benzamidopropanoyl]amino]octylamino]-1-oxopropan-2-yl]benzamide
CID 71491217
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
N-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide
CID 65315325
N-(4-hydroxy-3-methylbutyl)benzamide
CID 130383332
N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
CID 103862364
N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 42909871
N-(5-hydroxy-4-methylpentyl)-2-phenoxypropanamide
CID 103861668
N-[1-oxo-1-[[(E)-pent-3-enyl]amino]propan-2-yl]benzamide
CID 115628431
N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102099
N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102098
N-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylbenzamide
CID 103862344

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-hydroxy-4-methylpentyl)amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-[(5-hydroxy-4-methylpentyl)amino]-1-oxopropan-2-yl]benzamide (CID 103861524) is N-[1-[(5-hydroxy-4-methylpentyl)amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[(5-hydroxy-4-methylpentyl)amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-[(5-hydroxy-4-methylpentyl)amino]-1-oxopropan-2-yl]benzamide is CC(CO)CCCNC(=O)C(C)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-[(5-hydroxy-4-methylpentyl)amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is LSDBXEVXUZSYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(11-19)7-6-10-17-15(20)13(2)18-16(21)14-8-4-3-5-9-14/h3-5,8-9,12-13,19H,6-7,10-11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[1-[(5-hydroxy-4-methylpentyl)amino]-1-oxopropan-2-yl]benzamide?
N-[1-[(5-hydroxy-4-methylpentyl)amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 292.38 g/mol, XLogP of 1.33, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-hydroxy-4-methylpentyl)amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 103861524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).