N-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide

C15H23N3O2 — CID 7585187

IUPACN-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide
SMILESCCc1ccccc1NC(=O)C(=O)NCCCN(C)C
InChIInChI=1S/C15H23N3O2/c1-4-12-8-5-6-9-13(12)17-15(20)14(19)16-10-7-11-18(2)3/h5-6,8-9H,4,7,10-11H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyAOYKWMBDHAUQGY-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.26
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide

N-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide (PubChem CID 7585187) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide
PubChem CID7585187
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide
SMILESCCc1ccccc1NC(=O)C(=O)NCCCN(C)C
InChIInChI=1S/C15H23N3O2/c1-4-12-8-5-6-9-13(12)17-15(20)14(19)16-10-7-11-18(2)3/h5-6,8-9H,4,7,10-11H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyAOYKWMBDHAUQGY-UHFFFAOYSA-N
XLogP1.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.26
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-(dimethylamino)propyl]-N'-(2-ethylphenyl)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

1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046007
N-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide
CID 7541651
1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea
CID 23764430
N-(3-hydroxypropyl)-N'-(2-propylphenyl)oxamide
CID 47224610
N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108524772
2-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109084067
N-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
CID 108524813
N-[2-[[3-(dimethylamino)propylamino]methyl]phenyl]acetamide
CID 66385636
N-[2-(dimethylamino)ethyl]-N'-(2-fluorophenyl)oxamide
CID 7541475
2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109253558
N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 47225106
N-[3-(dimethylamino)propyl]-N'-(4-iodo-2-methylphenyl)oxamide
CID 47225107

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide (CID 7585187) is N-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide is CCc1ccccc1NC(=O)C(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide?
The InChIKey is AOYKWMBDHAUQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-12-8-5-6-9-13(12)17-15(20)14(19)16-10-7-11-18(2)3/h5-6,8-9H,4,7,10-11H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide?
N-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide has a molecular weight of 277.37 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide is sourced from PubChem (CID 7585187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).