N-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide

C19H30N2O2 — CID 54175456

IUPACN-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide
SMILESCCCCCCCCN(C)C(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C19H30N2O2/c1-3-4-5-6-7-11-16-21(2)18(22)14-15-20-19(23)17-12-9-8-10-13-17/h8-10,12-13H,3-7,11,14-16H2,1-2H3,(H,20,23)
InChIKeyOXZWWWZOMMZVHB-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.63
Rot. Bonds11

About N-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide

N-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide (PubChem CID 54175456) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide
PubChem CID54175456
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide
SMILESCCCCCCCCN(C)C(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C19H30N2O2/c1-3-4-5-6-7-11-16-21(2)18(22)14-15-20-19(23)17-12-9-8-10-13-17/h8-10,12-13H,3-7,11,14-16H2,1-2H3,(H,20,23)
InChIKeyOXZWWWZOMMZVHB-UHFFFAOYSA-N
XLogP3.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-[methyl(octyl)amino]-3-oxopropyl]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

methyl 3-[3-benzamidopropanoyl(methyl)amino]propanoate
CID 60977381
N-[3-(hexylamino)-3-oxopropyl]benzamide
CID 17154430
N-[3-[3-(4-chlorophenoxy)propyl-methylamino]-3-oxopropyl]benzamide
CID 55896935
N-[2-[butyl(methyl)amino]-2-oxoethyl]benzamide;methylboronic acid
CID 143334744
N-[methyl(pentyl)carbamoyl]benzamide
CID 3378648
N-[3-oxo-3-(pentylamino)propyl]benzamide
CID 17154443
2-benzamidoethyl-dimethyl-octylazanium
CID 101426942
4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
CID 109047835
1-N,3-N-bis[2-[decyl(methyl)amino]ethyl]benzene-1,3-dicarboxamide
CID 139953389
N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide
CID 30877774
N-octadec-9-enylbenzamide
CID 54554566
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide (CID 54175456) is N-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide is CCCCCCCCN(C)C(=O)CCNC(=O)c1ccccc1.
What is the InChIKey of N-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide?
The InChIKey is OXZWWWZOMMZVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-3-4-5-6-7-11-16-21(2)18(22)14-15-20-19(23)17-12-9-8-10-13-17/h8-10,12-13H,3-7,11,14-16H2,1-2H3,(H,20,23).
What are the key properties of N-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide?
N-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide has a molecular weight of 318.46 g/mol, XLogP of 3.63, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 54175456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).