4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide

C23H21NO3 — CID 17086755

IUPAC4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C23H21NO3/c1-2-15-26-22-10-6-9-20(16-22)24-23(25)19-11-13-21(14-12-19)27-17-18-7-4-3-5-8-18/h2-14,16H,1,15,17H2,(H,24,25)
InChIKeyUSKQUFNIZQSRAV-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.08
Rot. Bonds8

About 4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide

4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide (PubChem CID 17086755) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide.

Molecular Properties

Compound Name4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide
PubChem CID17086755
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C23H21NO3/c1-2-15-26-22-10-6-9-20(16-22)24-23(25)19-11-13-21(14-12-19)27-17-18-7-4-3-5-8-18/h2-14,16H,1,15,17H2,(H,24,25)
InChIKeyUSKQUFNIZQSRAV-UHFFFAOYSA-N
XLogP5.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
N-(3-phenylmethoxyphenyl)-4-propoxybenzamide
CID 17086082
4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086729
3-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 78779054
N-[3-[(4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 26169104
N-[3-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]benzamide
CID 110006010
4-methylsulfinyl-N-(3-prop-2-enoxyphenyl)benzamide
CID 86835440
4-(2-phenoxyethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17086224
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
N-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide
CID 17188298
methyl 3-[(4-prop-2-enoxybenzoyl)amino]benzoate
CID 53285181
N-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide
CID 17113536

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide?
The IUPAC name of 4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide (CID 17086755) is 4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide.
What is the SMILES notation for 4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide?
The canonical SMILES for 4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide is C=CCOc1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of 4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide?
The InChIKey is USKQUFNIZQSRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-2-15-26-22-10-6-9-20(16-22)24-23(25)19-11-13-21(14-12-19)27-17-18-7-4-3-5-8-18/h2-14,16H,1,15,17H2,(H,24,25).
What are the key properties of 4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide?
4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide has a molecular weight of 359.43 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide is sourced from PubChem (CID 17086755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).