(4-acetamidophenyl) (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate

C21H20N2O4 — CID 35737555

IUPAC(4-acetamidophenyl) (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate
SMILESCC(=O)Nc1ccc(OC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C21H20N2O4/c1-14(24)22-17-9-11-19(12-10-17)27-20(25)13-4-15-2-5-16(6-3-15)21(26)23-18-7-8-18/h2-6,9-13,18H,7-8H2,1H3,(H,22,24)(H,23,26)/b13-4+
InChIKeyHTHRHBAGBWSZGK-YIXHJXPBSA-N
MW364.40 g/mol
LogP3.16
Rot. Bonds6

About (4-acetamidophenyl) (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate

(4-acetamidophenyl) (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate (PubChem CID 35737555) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is (4-acetamidophenyl) (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Name(4-acetamidophenyl) (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate
PubChem CID35737555
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name(4-acetamidophenyl) (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate
SMILESCC(=O)Nc1ccc(OC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C21H20N2O4/c1-14(24)22-17-9-11-19(12-10-17)27-20(25)13-4-15-2-5-16(6-3-15)21(26)23-18-7-8-18/h2-6,9-13,18H,7-8H2,1H3,(H,22,24)(H,23,26)/b13-4+
InChIKeyHTHRHBAGBWSZGK-YIXHJXPBSA-N
XLogP3.16
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-3-(4-acetylanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 46568917
(2,3,6-trimethylphenyl) (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate
CID 52567173
ethyl 3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate
CID 169480970
4-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389222
(3-carbamoylphenyl) (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate
CID 55642993
N-cyclopropyl-4-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide
CID 55490185
N-cyclopropyl-4-[(E)-3-(4-methylsulfanylanilino)-3-oxoprop-1-enyl]benzamide
CID 35736991
4-acetamido-N-cyclooctylbenzamide
CID 2990044
N-cyclopropyl-4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 51300094
4-acetamido-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385704
N-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide
CID 55573881
N-cyclopropyl-4-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide
CID 31829368

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate?
The IUPAC name of (4-acetamidophenyl) (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate (CID 35737555) is (4-acetamidophenyl) (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate.
What is the SMILES notation for (4-acetamidophenyl) (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate?
The canonical SMILES for (4-acetamidophenyl) (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate is CC(=O)Nc1ccc(OC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)cc1.
What is the InChIKey of (4-acetamidophenyl) (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate?
The InChIKey is HTHRHBAGBWSZGK-YIXHJXPBSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-14(24)22-17-9-11-19(12-10-17)27-20(25)13-4-15-2-5-16(6-3-15)21(26)23-18-7-8-18/h2-6,9-13,18H,7-8H2,1H3,(H,22,24)(H,23,26)/b13-4+.
What are the key properties of (4-acetamidophenyl) (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate?
(4-acetamidophenyl) (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate has a molecular weight of 364.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate is sourced from PubChem (CID 35737555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).