(E)-N-(benzylcarbamoyl)-N-(4-methoxyphenyl)-4-oxopent-2-enamide

C20H20N2O4 — CID 11175599

IUPAC(E)-N-(benzylcarbamoyl)-N-(4-methoxyphenyl)-4-oxopent-2-enamide
SMILESCOc1ccc(N(C(=O)/C=C/C(C)=O)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H20N2O4/c1-15(23)8-13-19(24)22(17-9-11-18(26-2)12-10-17)20(25)21-14-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,21,25)/b13-8+
InChIKeyYUCLCSIRYQNUFE-MDWZMJQESA-N
MW352.39 g/mol
LogP3.08
Rot. Bonds6

About (E)-N-(benzylcarbamoyl)-N-(4-methoxyphenyl)-4-oxopent-2-enamide

(E)-N-(benzylcarbamoyl)-N-(4-methoxyphenyl)-4-oxopent-2-enamide (PubChem CID 11175599) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (E)-N-(benzylcarbamoyl)-N-(4-methoxyphenyl)-4-oxopent-2-enamide.

Molecular Properties

Compound Name(E)-N-(benzylcarbamoyl)-N-(4-methoxyphenyl)-4-oxopent-2-enamide
PubChem CID11175599
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(E)-N-(benzylcarbamoyl)-N-(4-methoxyphenyl)-4-oxopent-2-enamide
SMILESCOc1ccc(N(C(=O)/C=C/C(C)=O)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H20N2O4/c1-15(23)8-13-19(24)22(17-9-11-18(26-2)12-10-17)20(25)21-14-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,21,25)/b13-8+
InChIKeyYUCLCSIRYQNUFE-MDWZMJQESA-N
XLogP3.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-benzyl-4-oxopent-2-enamide
CID 131237691
7-[N-(benzylcarbamoyl)-4-methoxyanilino]-N-hydroxyheptanamide
CID 11372956
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
3-benzyl-1-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea
CID 111122932
N-benzyl-3-(4-methoxyphenyl)prop-2-ynamide
CID 12660141
O-methyl N-[(4-methoxyphenyl)methylcarbamoyl]-N-sulfanylcarbamothioate
CID 151276492
(2R,3R)-N-benzyl-3-(4-methoxyphenyl)oxirane-2-carboxamide
CID 135481416
1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea
CID 2988168
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide
CID 113163044
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838

Frequently Asked Questions

What is the IUPAC name of (E)-N-(benzylcarbamoyl)-N-(4-methoxyphenyl)-4-oxopent-2-enamide?
The IUPAC name of (E)-N-(benzylcarbamoyl)-N-(4-methoxyphenyl)-4-oxopent-2-enamide (CID 11175599) is (E)-N-(benzylcarbamoyl)-N-(4-methoxyphenyl)-4-oxopent-2-enamide.
What is the SMILES notation for (E)-N-(benzylcarbamoyl)-N-(4-methoxyphenyl)-4-oxopent-2-enamide?
The canonical SMILES for (E)-N-(benzylcarbamoyl)-N-(4-methoxyphenyl)-4-oxopent-2-enamide is COc1ccc(N(C(=O)/C=C/C(C)=O)C(=O)NCc2ccccc2)cc1.
What is the InChIKey of (E)-N-(benzylcarbamoyl)-N-(4-methoxyphenyl)-4-oxopent-2-enamide?
The InChIKey is YUCLCSIRYQNUFE-MDWZMJQESA-N. The full InChI is InChI=1S/C20H20N2O4/c1-15(23)8-13-19(24)22(17-9-11-18(26-2)12-10-17)20(25)21-14-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,21,25)/b13-8+.
What are the key properties of (E)-N-(benzylcarbamoyl)-N-(4-methoxyphenyl)-4-oxopent-2-enamide?
(E)-N-(benzylcarbamoyl)-N-(4-methoxyphenyl)-4-oxopent-2-enamide has a molecular weight of 352.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(benzylcarbamoyl)-N-(4-methoxyphenyl)-4-oxopent-2-enamide is sourced from PubChem (CID 11175599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).