(Z)-2-acetamido-N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide

C23H28N2O4 — CID 46762320

IUPAC(Z)-2-acetamido-N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide
SMILESCCCCOc1ccc(CNC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1OC
InChIInChI=1S/C23H28N2O4/c1-4-5-13-29-21-12-11-19(15-22(21)28-3)16-24-23(27)20(25-17(2)26)14-18-9-7-6-8-10-18/h6-12,14-15H,4-5,13,16H2,1-3H3,(H,24,27)(H,25,26)/b20-14-
InChIKeyUPWFZZIIXMAGEU-ZHZULCJRSA-N
MW396.49 g/mol
LogP3.67
Rot. Bonds10

About (Z)-2-acetamido-N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide

(Z)-2-acetamido-N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide (PubChem CID 46762320) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is (Z)-2-acetamido-N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide
PubChem CID46762320
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name(Z)-2-acetamido-N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide
SMILESCCCCOc1ccc(CNC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1OC
InChIInChI=1S/C23H28N2O4/c1-4-5-13-29-21-12-11-19(15-22(21)28-3)16-24-23(27)20(25-17(2)26)14-18-9-7-6-8-10-18/h6-12,14-15H,4-5,13,16H2,1-3H3,(H,24,27)(H,25,26)/b20-14-
InChIKeyUPWFZZIIXMAGEU-ZHZULCJRSA-N
XLogP3.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide
CID 110298595
2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
CID 112547109
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 39971450
(Z)-2-acetamido-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-phenylprop-2-enamide
CID 9482435
(Z)-2-acetamido-3-phenyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]prop-2-enamide
CID 34501494
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 39971234
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide
CID 120588376
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride
CID 120588375
N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 39971385
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119284589
(Z)-2-acetamido-N-butyl-3-(4-methoxyphenyl)prop-2-enamide
CID 102005340
(E)-N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 46762691

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-2-acetamido-N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide (CID 46762320) is (Z)-2-acetamido-N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide is CCCCOc1ccc(CNC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1OC.
What is the InChIKey of (Z)-2-acetamido-N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide?
The InChIKey is UPWFZZIIXMAGEU-ZHZULCJRSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-4-5-13-29-21-12-11-19(15-22(21)28-3)16-24-23(27)20(25-17(2)26)14-18-9-7-6-8-10-18/h6-12,14-15H,4-5,13,16H2,1-3H3,(H,24,27)(H,25,26)/b20-14-.
What are the key properties of (Z)-2-acetamido-N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide?
(Z)-2-acetamido-N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide has a molecular weight of 396.49 g/mol, XLogP of 3.67, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 46762320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).