N'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide

C20H24N4O3 — CID 108529438

IUPACN'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2ccccc2C(N)=O)c(C)c1
InChIInChI=1S/C20H24N4O3/c1-4-24(5-2)14-10-11-16(13(3)12-14)22-19(26)20(27)23-17-9-7-6-8-15(17)18(21)25/h6-12H,4-5H2,1-3H3,(H2,21,25)(H,22,26)(H,23,27)
InChIKeyLEGUJDOTEBOPIB-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.52
Rot. Bonds6

About N'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide

N'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide (PubChem CID 108529438) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide.

Molecular Properties

Compound NameN'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
PubChem CID108529438
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2ccccc2C(N)=O)c(C)c1
InChIInChI=1S/C20H24N4O3/c1-4-24(5-2)14-10-11-16(13(3)12-14)22-19(26)20(27)23-17-9-7-6-8-15(17)18(21)25/h6-12H,4-5H2,1-3H3,(H2,21,25)(H,22,26)(H,23,27)
InChIKeyLEGUJDOTEBOPIB-UHFFFAOYSA-N
XLogP2.52
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
CID 108953999
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide
CID 108518693
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide
CID 108522130
2-[[2-(N-ethyl-3-methylanilino)acetyl]amino]benzamide
CID 47078032
methyl 2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]benzoate
CID 108785560
N'-(2-amino-5-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108532401
1-[4-(diethylamino)-2-methylphenyl]-3-(2-iodophenyl)urea
CID 108869059
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523171
2-bromo-N-[[4-(diethylamino)-2-methylphenyl]carbamothioyl]benzamide
CID 22777334
4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 22692306

Frequently Asked Questions

What is the IUPAC name of N'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide?
The IUPAC name of N'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide (CID 108529438) is N'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide.
What is the SMILES notation for N'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide?
The canonical SMILES for N'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide is CCN(CC)c1ccc(NC(=O)C(=O)Nc2ccccc2C(N)=O)c(C)c1.
What is the InChIKey of N'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide?
The InChIKey is LEGUJDOTEBOPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-4-24(5-2)14-10-11-16(13(3)12-14)22-19(26)20(27)23-17-9-7-6-8-15(17)18(21)25/h6-12H,4-5H2,1-3H3,(H2,21,25)(H,22,26)(H,23,27).
What are the key properties of N'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide?
N'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide has a molecular weight of 368.44 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide is sourced from PubChem (CID 108529438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).