N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide

C14H20ClN3O2 — CID 7585404

IUPACN'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCCN(C)C)cc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-10-5-6-11(9-12(10)15)17-14(20)13(19)16-7-4-8-18(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyPFTJVOZNFHHUJK-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.65
Rot. Bonds5

About N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide

N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide (PubChem CID 7585404) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
PubChem CID7585404
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCCN(C)C)cc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-10-5-6-11(9-12(10)15)17-14(20)13(19)16-7-4-8-18(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyPFTJVOZNFHHUJK-UHFFFAOYSA-N
XLogP1.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.65
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'-(3-chloro-4-methylphenyl)-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

N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 7585401
N'-(4-bromo-3-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 47148089
N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide
CID 124529536
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(dimethylamino)propyl]oxamide
CID 108515808
N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 108995126
N'-(4-chloro-3-nitrophenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 108512751
N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 47225106
N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide
CID 2290781
N-(3-chloro-4-methylphenyl)-N'-[3-(dimethylamino)propyl]-3-phenylpentanediamide
CID 142061710
5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186013
N'-(3-chloro-4-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490803
N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253577

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide?
The IUPAC name of N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide (CID 7585404) is N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide is Cc1ccc(NC(=O)C(=O)NCCCN(C)C)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide?
The InChIKey is PFTJVOZNFHHUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-10-5-6-11(9-12(10)15)17-14(20)13(19)16-7-4-8-18(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide?
N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide has a molecular weight of 297.79 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide is sourced from PubChem (CID 7585404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).