N-[2-[[(E)-3-(4-methoxyphenyl)but-2-enoyl]amino]ethyl]benzamide

C20H22N2O3 — CID 110309408

IUPACN-[2-[[(E)-3-(4-methoxyphenyl)but-2-enoyl]amino]ethyl]benzamide
SMILESCOc1ccc(/C(C)=C/C(=O)NCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O3/c1-15(16-8-10-18(25-2)11-9-16)14-19(23)21-12-13-22-20(24)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,21,23)(H,22,24)/b15-14+
InChIKeyWVMHXKYIAZYBDU-CCEZHUSRSA-N
MW338.41 g/mol
LogP2.64
Rot. Bonds7

About N-[2-[[(E)-3-(4-methoxyphenyl)but-2-enoyl]amino]ethyl]benzamide

N-[2-[[(E)-3-(4-methoxyphenyl)but-2-enoyl]amino]ethyl]benzamide (PubChem CID 110309408) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-[[(E)-3-(4-methoxyphenyl)but-2-enoyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(E)-3-(4-methoxyphenyl)but-2-enoyl]amino]ethyl]benzamide
PubChem CID110309408
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[2-[[(E)-3-(4-methoxyphenyl)but-2-enoyl]amino]ethyl]benzamide
SMILESCOc1ccc(/C(C)=C/C(=O)NCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O3/c1-15(16-8-10-18(25-2)11-9-16)14-19(23)21-12-13-22-20(24)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,21,23)(H,22,24)/b15-14+
InChIKeyWVMHXKYIAZYBDU-CCEZHUSRSA-N
XLogP2.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
(E)-N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)but-2-enamide
CID 111788938
N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 32527019
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
(E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide
CID 110309509
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853
(Z)-N-[(4-methoxyphenyl)-phenylmethyl]-3-phenylbut-2-enamide
CID 53338507
(E)-3-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)but-2-enamide
CID 110408542
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
(E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)but-2-enamide
CID 110302061
4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide
CID 8884300
N-(4-hydroxy-2-methylpentyl)-3-(4-methoxyphenyl)but-2-enamide
CID 111780107

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E)-3-(4-methoxyphenyl)but-2-enoyl]amino]ethyl]benzamide?
The IUPAC name of N-[2-[[(E)-3-(4-methoxyphenyl)but-2-enoyl]amino]ethyl]benzamide (CID 110309408) is N-[2-[[(E)-3-(4-methoxyphenyl)but-2-enoyl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[[(E)-3-(4-methoxyphenyl)but-2-enoyl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-[[(E)-3-(4-methoxyphenyl)but-2-enoyl]amino]ethyl]benzamide is COc1ccc(/C(C)=C/C(=O)NCCNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[[(E)-3-(4-methoxyphenyl)but-2-enoyl]amino]ethyl]benzamide?
The InChIKey is WVMHXKYIAZYBDU-CCEZHUSRSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15(16-8-10-18(25-2)11-9-16)14-19(23)21-12-13-22-20(24)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,21,23)(H,22,24)/b15-14+.
What are the key properties of N-[2-[[(E)-3-(4-methoxyphenyl)but-2-enoyl]amino]ethyl]benzamide?
N-[2-[[(E)-3-(4-methoxyphenyl)but-2-enoyl]amino]ethyl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-3-(4-methoxyphenyl)but-2-enoyl]amino]ethyl]benzamide is sourced from PubChem (CID 110309408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).