N'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide

C14H20ClN3O2 — CID 44995823

IUPACN'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide
SMILESCN(C)CCCNC(=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O2/c1-18(2)9-3-8-16-13(19)14(20)17-10-11-4-6-12(15)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyAWECTFGWQDMJPA-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.02
Rot. Bonds6

About N'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide

N'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide (PubChem CID 44995823) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide
PubChem CID44995823
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide
SMILESCN(C)CCCNC(=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O2/c1-18(2)9-3-8-16-13(19)14(20)17-10-11-4-6-12(15)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyAWECTFGWQDMJPA-UHFFFAOYSA-N
XLogP1.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide 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

3-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]propanamide
CID 109016879
1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)propyl]urea
CID 108891914
N'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide
CID 21369940
N-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
CID 108524813
N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 47225106
N'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide
CID 108513916
2-N,4-N-bis[(4-chlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
CID 56646930
N'-[3-(dimethylamino)propyl]-N-ethyloxamide
CID 45000040
N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 7585404
1-[(4-chlorophenyl)methyl]-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 38949051
N'-[(4-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 18588547
(Z)-N-[(4-chlorophenyl)methyl]-2-cyano-3-[2-hydroxyethyl(methyl)amino]prop-2-enamide
CID 108839702

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide (CID 44995823) is N'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide is CN(C)CCCNC(=O)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide?
The InChIKey is AWECTFGWQDMJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-18(2)9-3-8-16-13(19)14(20)17-10-11-4-6-12(15)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide?
N'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide has a molecular weight of 297.79 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide is sourced from PubChem (CID 44995823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).