2-(4-methylanilino)-N-[(Z)-(3-oxo-1,3-diphenylpropylidene)amino]acetamide

C24H23N3O2 — CID 46177792

IUPAC2-(4-methylanilino)-N-[(Z)-(3-oxo-1,3-diphenylpropylidene)amino]acetamide
SMILESCc1ccc(NCC(=O)N/N=C(/CC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23N3O2/c1-18-12-14-21(15-13-18)25-17-24(29)27-26-22(19-8-4-2-5-9-19)16-23(28)20-10-6-3-7-11-20/h2-15,25H,16-17H2,1H3,(H,27,29)/b26-22-
InChIKeyMGESRMPJTXFCOV-ROMGYVFFSA-N
MW385.47 g/mol
LogP4.20
Rot. Bonds8

About 2-(4-methylanilino)-N-[(Z)-(3-oxo-1,3-diphenylpropylidene)amino]acetamide

2-(4-methylanilino)-N-[(Z)-(3-oxo-1,3-diphenylpropylidene)amino]acetamide (PubChem CID 46177792) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-(4-methylanilino)-N-[(Z)-(3-oxo-1,3-diphenylpropylidene)amino]acetamide.

Molecular Properties

Compound Name2-(4-methylanilino)-N-[(Z)-(3-oxo-1,3-diphenylpropylidene)amino]acetamide
PubChem CID46177792
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name2-(4-methylanilino)-N-[(Z)-(3-oxo-1,3-diphenylpropylidene)amino]acetamide
SMILESCc1ccc(NCC(=O)N/N=C(/CC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23N3O2/c1-18-12-14-21(15-13-18)25-17-24(29)27-26-22(19-8-4-2-5-9-19)16-23(28)20-10-6-3-7-11-20/h2-15,25H,16-17H2,1H3,(H,27,29)/b26-22-
InChIKeyMGESRMPJTXFCOV-ROMGYVFFSA-N
XLogP4.20
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylanilino)-1-phenylethanone
CID 4230722
N-(benzylideneamino)-2-(4-methylanilino)acetamide
CID 689462
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
CID 16553710
2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6321738
N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
CID 5457542
2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 7638625
2-(4-methylanilino)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]acetamide
CID 9143872
[4-[[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 1202103
2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 5393375
2-anilino-N-[(Z)-butan-2-ylideneamino]acetamide
CID 7933305
2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 5421634
2-(4-methylanilino)-N-(1-phenylethyl)acetamide
CID 54814142

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-N-[(Z)-(3-oxo-1,3-diphenylpropylidene)amino]acetamide?
The IUPAC name of 2-(4-methylanilino)-N-[(Z)-(3-oxo-1,3-diphenylpropylidene)amino]acetamide (CID 46177792) is 2-(4-methylanilino)-N-[(Z)-(3-oxo-1,3-diphenylpropylidene)amino]acetamide.
What is the SMILES notation for 2-(4-methylanilino)-N-[(Z)-(3-oxo-1,3-diphenylpropylidene)amino]acetamide?
The canonical SMILES for 2-(4-methylanilino)-N-[(Z)-(3-oxo-1,3-diphenylpropylidene)amino]acetamide is Cc1ccc(NCC(=O)N/N=C(/CC(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylanilino)-N-[(Z)-(3-oxo-1,3-diphenylpropylidene)amino]acetamide?
The InChIKey is MGESRMPJTXFCOV-ROMGYVFFSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-18-12-14-21(15-13-18)25-17-24(29)27-26-22(19-8-4-2-5-9-19)16-23(28)20-10-6-3-7-11-20/h2-15,25H,16-17H2,1H3,(H,27,29)/b26-22-.
What are the key properties of 2-(4-methylanilino)-N-[(Z)-(3-oxo-1,3-diphenylpropylidene)amino]acetamide?
2-(4-methylanilino)-N-[(Z)-(3-oxo-1,3-diphenylpropylidene)amino]acetamide has a molecular weight of 385.47 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-N-[(Z)-(3-oxo-1,3-diphenylpropylidene)amino]acetamide is sourced from PubChem (CID 46177792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).