N'-(4-aminobenzoyl)-N-[4-(dimethylamino)phenyl]oxamide

C17H18N4O3 — CID 108527902

IUPACN'-(4-aminobenzoyl)-N-[4-(dimethylamino)phenyl]oxamide
SMILESCN(C)c1ccc(NC(=O)C(=O)NC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C17H18N4O3/c1-21(2)14-9-7-13(8-10-14)19-16(23)17(24)20-15(22)11-3-5-12(18)6-4-11/h3-10H,18H2,1-2H3,(H,19,23)(H,20,22,24)
InChIKeyMTVKZZDGBOQLRI-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.23
Rot. Bonds3

About N'-(4-aminobenzoyl)-N-[4-(dimethylamino)phenyl]oxamide

N'-(4-aminobenzoyl)-N-[4-(dimethylamino)phenyl]oxamide (PubChem CID 108527902) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N'-(4-aminobenzoyl)-N-[4-(dimethylamino)phenyl]oxamide.

Molecular Properties

Compound NameN'-(4-aminobenzoyl)-N-[4-(dimethylamino)phenyl]oxamide
PubChem CID108527902
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN'-(4-aminobenzoyl)-N-[4-(dimethylamino)phenyl]oxamide
SMILESCN(C)c1ccc(NC(=O)C(=O)NC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C17H18N4O3/c1-21(2)14-9-7-13(8-10-14)19-16(23)17(24)20-15(22)11-3-5-12(18)6-4-11/h3-10H,18H2,1-2H3,(H,19,23)(H,20,22,24)
InChIKeyMTVKZZDGBOQLRI-UHFFFAOYSA-N
XLogP1.23
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide
CID 129035701
ethyl 4-[[2-[(4-aminobenzoyl)amino]-2-oxoacetyl]amino]benzoate
CID 108500149
N-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide
CID 108894693
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine
CID 144734736
4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride
CID 122527773
4-(dimethylamino)-N-(4-iodophenyl)benzamide
CID 590767
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048526
N'-(4-aminobenzoyl)-N-(1H-indazol-6-yl)oxamide
CID 108530089
[4-[[4-(dimethylamino)benzoyl]amino]phenyl] carbamate
CID 151717833
4-amino-N-[4-(dimethylamino)-2-methylphenyl]benzamide
CID 43700590

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminobenzoyl)-N-[4-(dimethylamino)phenyl]oxamide?
The IUPAC name of N'-(4-aminobenzoyl)-N-[4-(dimethylamino)phenyl]oxamide (CID 108527902) is N'-(4-aminobenzoyl)-N-[4-(dimethylamino)phenyl]oxamide.
What is the SMILES notation for N'-(4-aminobenzoyl)-N-[4-(dimethylamino)phenyl]oxamide?
The canonical SMILES for N'-(4-aminobenzoyl)-N-[4-(dimethylamino)phenyl]oxamide is CN(C)c1ccc(NC(=O)C(=O)NC(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of N'-(4-aminobenzoyl)-N-[4-(dimethylamino)phenyl]oxamide?
The InChIKey is MTVKZZDGBOQLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-21(2)14-9-7-13(8-10-14)19-16(23)17(24)20-15(22)11-3-5-12(18)6-4-11/h3-10H,18H2,1-2H3,(H,19,23)(H,20,22,24).
What are the key properties of N'-(4-aminobenzoyl)-N-[4-(dimethylamino)phenyl]oxamide?
N'-(4-aminobenzoyl)-N-[4-(dimethylamino)phenyl]oxamide has a molecular weight of 326.36 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminobenzoyl)-N-[4-(dimethylamino)phenyl]oxamide is sourced from PubChem (CID 108527902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).