N-[2-(diethylamino)propyl]-N'-[3-(diethylcarbamoyl)phenyl]oxamide

C20H32N4O3 — CID 86997037

IUPACN-[2-(diethylamino)propyl]-N'-[3-(diethylcarbamoyl)phenyl]oxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C(=O)NCC(C)N(CC)CC)c1
InChIInChI=1S/C20H32N4O3/c1-6-23(7-2)15(5)14-21-18(25)19(26)22-17-12-10-11-16(13-17)20(27)24(8-3)9-4/h10-13,15H,6-9,14H2,1-5H3,(H,21,25)(H,22,26)
InChIKeySCKNCMGCRGUZGQ-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.95
Rot. Bonds9

About N-[2-(diethylamino)propyl]-N'-[3-(diethylcarbamoyl)phenyl]oxamide

N-[2-(diethylamino)propyl]-N'-[3-(diethylcarbamoyl)phenyl]oxamide (PubChem CID 86997037) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-N'-[3-(diethylcarbamoyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-N'-[3-(diethylcarbamoyl)phenyl]oxamide
PubChem CID86997037
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC NameN-[2-(diethylamino)propyl]-N'-[3-(diethylcarbamoyl)phenyl]oxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C(=O)NCC(C)N(CC)CC)c1
InChIInChI=1S/C20H32N4O3/c1-6-23(7-2)15(5)14-21-18(25)19(26)22-17-12-10-11-16(13-17)20(27)24(8-3)9-4/h10-13,15H,6-9,14H2,1-5H3,(H,21,25)(H,22,26)
InChIKeySCKNCMGCRGUZGQ-UHFFFAOYSA-N
XLogP1.95
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,N-diethylbenzamide
CID 119685445
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763
N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide
CID 47225795
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
N,N-diethyl-3-(propylcarbamoylamino)benzamide
CID 47103496
N,N-diethyl-3-(prop-2-enoylamino)benzamide
CID 43616413
2-[3-(diethylcarbamoyl)anilino]propanoic acid
CID 66174088
N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide
CID 2248971
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
N,N-diethyl-3-(5-methylhexan-2-ylamino)benzamide
CID 43107017
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-N'-[3-(diethylcarbamoyl)phenyl]oxamide?
The IUPAC name of N-[2-(diethylamino)propyl]-N'-[3-(diethylcarbamoyl)phenyl]oxamide (CID 86997037) is N-[2-(diethylamino)propyl]-N'-[3-(diethylcarbamoyl)phenyl]oxamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]-N'-[3-(diethylcarbamoyl)phenyl]oxamide?
The canonical SMILES for N-[2-(diethylamino)propyl]-N'-[3-(diethylcarbamoyl)phenyl]oxamide is CCN(CC)C(=O)c1cccc(NC(=O)C(=O)NCC(C)N(CC)CC)c1.
What is the InChIKey of N-[2-(diethylamino)propyl]-N'-[3-(diethylcarbamoyl)phenyl]oxamide?
The InChIKey is SCKNCMGCRGUZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-6-23(7-2)15(5)14-21-18(25)19(26)22-17-12-10-11-16(13-17)20(27)24(8-3)9-4/h10-13,15H,6-9,14H2,1-5H3,(H,21,25)(H,22,26).
What are the key properties of N-[2-(diethylamino)propyl]-N'-[3-(diethylcarbamoyl)phenyl]oxamide?
N-[2-(diethylamino)propyl]-N'-[3-(diethylcarbamoyl)phenyl]oxamide has a molecular weight of 376.50 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-N'-[3-(diethylcarbamoyl)phenyl]oxamide is sourced from PubChem (CID 86997037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).