N-(4-carbamoylphenyl)-N'-[(E)-2-phenylpropylideneamino]oxamide

C18H18N4O3 — CID 19659235

IUPACN-(4-carbamoylphenyl)-N'-[(E)-2-phenylpropylideneamino]oxamide
SMILESCC(/C=N/NC(=O)C(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1
InChIInChI=1S/C18H18N4O3/c1-12(13-5-3-2-4-6-13)11-20-22-18(25)17(24)21-15-9-7-14(8-10-15)16(19)23/h2-12H,1H3,(H2,19,23)(H,21,24)(H,22,25)/b20-11+
InChIKeyCYNIASDGGGOTNN-RGVLZGJSSA-N
MW338.37 g/mol
LogP1.63
Rot. Bonds5

About N-(4-carbamoylphenyl)-N'-[(E)-2-phenylpropylideneamino]oxamide

N-(4-carbamoylphenyl)-N'-[(E)-2-phenylpropylideneamino]oxamide (PubChem CID 19659235) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-N'-[(E)-2-phenylpropylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-N'-[(E)-2-phenylpropylideneamino]oxamide
PubChem CID19659235
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-(4-carbamoylphenyl)-N'-[(E)-2-phenylpropylideneamino]oxamide
SMILESCC(/C=N/NC(=O)C(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1
InChIInChI=1S/C18H18N4O3/c1-12(13-5-3-2-4-6-13)11-20-22-18(25)17(24)21-15-9-7-14(8-10-15)16(19)23/h2-12H,1H3,(H2,19,23)(H,21,24)(H,22,25)/b20-11+
InChIKeyCYNIASDGGGOTNN-RGVLZGJSSA-N
XLogP1.63
TPSA113.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-carbamoylphenyl)-N'-[(E)-2-phenylpropylideneamino]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-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide
CID 21214243
N-(4-carbamoylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 135685457
4-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7722367
N-(4-carbamoylphenyl)-N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide
CID 19660036
4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 7353788
4-tert-butyl-N-(2-phenylpropylideneamino)benzamide
CID 4694795
N-(4-carbamoylphenyl)-N'-[(2,6-dichlorophenyl)methylideneamino]oxamide
CID 3527403
ethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate
CID 7858390
4-[[(2R)-2-(benzhydrylamino)propanoyl]amino]benzamide
CID 7971112
N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide
CID 45001370
4-[[(2S)-2-amino-2-phenylacetyl]amino]benzamide
CID 22691729
4-[(2-methoxy-2-phenylacetyl)amino]benzamide
CID 2896452

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-N'-[(E)-2-phenylpropylideneamino]oxamide?
The IUPAC name of N-(4-carbamoylphenyl)-N'-[(E)-2-phenylpropylideneamino]oxamide (CID 19659235) is N-(4-carbamoylphenyl)-N'-[(E)-2-phenylpropylideneamino]oxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-N'-[(E)-2-phenylpropylideneamino]oxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-N'-[(E)-2-phenylpropylideneamino]oxamide is CC(/C=N/NC(=O)C(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1.
What is the InChIKey of N-(4-carbamoylphenyl)-N'-[(E)-2-phenylpropylideneamino]oxamide?
The InChIKey is CYNIASDGGGOTNN-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12(13-5-3-2-4-6-13)11-20-22-18(25)17(24)21-15-9-7-14(8-10-15)16(19)23/h2-12H,1H3,(H2,19,23)(H,21,24)(H,22,25)/b20-11+.
What are the key properties of N-(4-carbamoylphenyl)-N'-[(E)-2-phenylpropylideneamino]oxamide?
N-(4-carbamoylphenyl)-N'-[(E)-2-phenylpropylideneamino]oxamide has a molecular weight of 338.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-N'-[(E)-2-phenylpropylideneamino]oxamide is sourced from PubChem (CID 19659235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).