(Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide

C18H18N2O3 — CID 5371270

IUPAC(Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
SMILESCOc1ccc(NC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1
InChIInChI=1S/C18H18N2O3/c1-13(21)19-17(12-14-6-4-3-5-7-14)18(22)20-15-8-10-16(23-2)11-9-15/h3-12H,1-2H3,(H,19,21)(H,20,22)/b17-12-
InChIKeySHRYESNZRWFZPZ-ATVHPVEESA-N
MW310.35 g/mol
LogP2.81
Rot. Bonds5

About (Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide

(Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide (PubChem CID 5371270) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
PubChem CID5371270
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
SMILESCOc1ccc(NC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1
InChIInChI=1S/C18H18N2O3/c1-13(21)19-17(12-14-6-4-3-5-7-14)18(22)20-15-8-10-16(23-2)11-9-15/h3-12H,1-2H3,(H,19,21)(H,20,22)/b17-12-
InChIKeySHRYESNZRWFZPZ-ATVHPVEESA-N
XLogP2.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide
CID 3527723
(E)-2-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide
CID 34033287
(Z)-2-acetamido-3-phenyl-N-(4-phenylphenyl)prop-2-enamide
CID 9206311
(Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide
CID 8767931
[2-(4-methoxyanilino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284834
N-[(E)-3-anilino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 1083661
(Z)-2-acetamido-N-[4-(2-ethoxyethoxy)phenyl]-3-phenylprop-2-enamide
CID 17130603
(E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 6232272
N-[1-(4-hydroxyphenyl)-3-(4-methoxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 3972655
(Z)-2-methoxy-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 56968197
2-chloro-N-[(Z)-3-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2280061
ethyl 4-[[(E)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate
CID 5430854

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide?
The IUPAC name of (Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide (CID 5371270) is (Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide is COc1ccc(NC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1.
What is the InChIKey of (Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide?
The InChIKey is SHRYESNZRWFZPZ-ATVHPVEESA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13(21)19-17(12-14-6-4-3-5-7-14)18(22)20-15-8-10-16(23-2)11-9-15/h3-12H,1-2H3,(H,19,21)(H,20,22)/b17-12-.
What are the key properties of (Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide?
(Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide has a molecular weight of 310.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 5371270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).