[(4-methylbenzoyl)amino] (Z)-3-(4-methylanilino)but-2-enoate

C19H20N2O3 — CID 18530198

IUPAC[(4-methylbenzoyl)amino] (Z)-3-(4-methylanilino)but-2-enoate
SMILESC/C(=C/C(=O)ONC(=O)c1ccc(C)cc1)Nc1ccc(C)cc1
InChIInChI=1S/C19H20N2O3/c1-13-4-8-16(9-5-13)19(23)21-24-18(22)12-15(3)20-17-10-6-14(2)7-11-17/h4-12,20H,1-3H3,(H,21,23)/b15-12-
InChIKeyNYPKCAVYFWBLQG-QINSGFPZSA-N
MW324.38 g/mol
LogP3.51
Rot. Bonds4

About [(4-methylbenzoyl)amino] (Z)-3-(4-methylanilino)but-2-enoate

[(4-methylbenzoyl)amino] (Z)-3-(4-methylanilino)but-2-enoate (PubChem CID 18530198) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is [(4-methylbenzoyl)amino] (Z)-3-(4-methylanilino)but-2-enoate.

Molecular Properties

Compound Name[(4-methylbenzoyl)amino] (Z)-3-(4-methylanilino)but-2-enoate
PubChem CID18530198
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name[(4-methylbenzoyl)amino] (Z)-3-(4-methylanilino)but-2-enoate
SMILESC/C(=C/C(=O)ONC(=O)c1ccc(C)cc1)Nc1ccc(C)cc1
InChIInChI=1S/C19H20N2O3/c1-13-4-8-16(9-5-13)19(23)21-24-18(22)12-15(3)20-17-10-6-14(2)7-11-17/h4-12,20H,1-3H3,(H,21,23)/b15-12-
InChIKeyNYPKCAVYFWBLQG-QINSGFPZSA-N
XLogP3.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4-nitrobenzoyl)amino] (Z)-3-anilinobut-2-enoate
CID 18530201
ethyl (E)-3-[4-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]anilino]but-2-enoate
CID 5379118
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
methyl (Z)-3-[2-(4-methylbenzoyl)hydrazinyl]but-2-enoate
CID 23268413
ethyl 3-[4-(ethoxycarbonylamino)anilino]but-2-enoate
CID 70457432
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
ethyl 3-[2-[4-(propanoylamino)benzoyl]hydrazinyl]but-2-enoate
CID 5152071
ethyl (Z)-3-(4-methoxyanilino)but-2-enoate
CID 5394780
(Z)-4-[4-[[(Z)-4-oxopent-2-en-2-yl]amino]anilino]pent-3-en-2-one
CID 7707922
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
N-(4-methylphenyl)acetamide
CID 7684
4-carbamothioyl-N-(4-methylphenyl)benzamide
CID 24707290

Frequently Asked Questions

What is the IUPAC name of [(4-methylbenzoyl)amino] (Z)-3-(4-methylanilino)but-2-enoate?
The IUPAC name of [(4-methylbenzoyl)amino] (Z)-3-(4-methylanilino)but-2-enoate (CID 18530198) is [(4-methylbenzoyl)amino] (Z)-3-(4-methylanilino)but-2-enoate.
What is the SMILES notation for [(4-methylbenzoyl)amino] (Z)-3-(4-methylanilino)but-2-enoate?
The canonical SMILES for [(4-methylbenzoyl)amino] (Z)-3-(4-methylanilino)but-2-enoate is C/C(=C/C(=O)ONC(=O)c1ccc(C)cc1)Nc1ccc(C)cc1.
What is the InChIKey of [(4-methylbenzoyl)amino] (Z)-3-(4-methylanilino)but-2-enoate?
The InChIKey is NYPKCAVYFWBLQG-QINSGFPZSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-4-8-16(9-5-13)19(23)21-24-18(22)12-15(3)20-17-10-6-14(2)7-11-17/h4-12,20H,1-3H3,(H,21,23)/b15-12-.
What are the key properties of [(4-methylbenzoyl)amino] (Z)-3-(4-methylanilino)but-2-enoate?
[(4-methylbenzoyl)amino] (Z)-3-(4-methylanilino)but-2-enoate has a molecular weight of 324.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methylbenzoyl)amino] (Z)-3-(4-methylanilino)but-2-enoate is sourced from PubChem (CID 18530198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).