N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide

C16H25ClN2O — CID 28971541

IUPACN-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide
SMILESCN(CCCNC(=O)CCCCCl)Cc1ccccc1
InChIInChI=1S/C16H25ClN2O/c1-19(14-15-8-3-2-4-9-15)13-7-12-18-16(20)10-5-6-11-17/h2-4,8-9H,5-7,10-14H2,1H3,(H,18,20)
InChIKeyAKVQELOEGOSJNO-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.03
Rot. Bonds10

About N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide

N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide (PubChem CID 28971541) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide
PubChem CID28971541
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide
SMILESCN(CCCNC(=O)CCCCCl)Cc1ccccc1
InChIInChI=1S/C16H25ClN2O/c1-19(14-15-8-3-2-4-9-15)13-7-12-18-16(20)10-5-6-11-17/h2-4,8-9H,5-7,10-14H2,1H3,(H,18,20)
InChIKeyAKVQELOEGOSJNO-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide 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-[3-[benzyl(methyl)amino]propyl]octanamide
CID 173154177
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide
CID 41306011
2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119835671
2-[4-[benzyl(methyl)amino]butanoylamino]acetic acid
CID 82042587
6-chloro-N-(2-phenylethyl)hexanamide
CID 154710700
N-[3-[benzyl(methyl)amino]propyl]-2-(4-bromophenoxy)acetamide
CID 41306516
N-[3-[benzyl(methyl)amino]propyl]-3-indol-1-ylpropanamide
CID 18118692
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 18272017
N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 62490939
4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide
CID 41306684
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide (CID 28971541) is N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide is CN(CCCNC(=O)CCCCCl)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide?
The InChIKey is AKVQELOEGOSJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-19(14-15-8-3-2-4-9-15)13-7-12-18-16(20)10-5-6-11-17/h2-4,8-9H,5-7,10-14H2,1H3,(H,18,20).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide?
N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide has a molecular weight of 296.84 g/mol, XLogP of 3.03, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide is sourced from PubChem (CID 28971541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).