N-(4-benzamido-3-cyano-5-phenylmethoxy-2-prop-2-enylphenyl)benzamide

C31H25N3O3 — CID 11812928

IUPACN-(4-benzamido-3-cyano-5-phenylmethoxy-2-prop-2-enylphenyl)benzamide
SMILESC=CCc1c(NC(=O)c2ccccc2)cc(OCc2ccccc2)c(NC(=O)c2ccccc2)c1C#N
InChIInChI=1S/C31H25N3O3/c1-2-12-25-26(20-32)29(34-31(36)24-17-10-5-11-18-24)28(37-21-22-13-6-3-7-14-22)19-27(25)33-30(35)23-15-8-4-9-16-23/h2-11,13-19H,1,12,21H2,(H,33,35)(H,34,36)
InChIKeySIOMZVCUPQNFSW-UHFFFAOYSA-N
MW487.56 g/mol
LogP6.37
Rot. Bonds9

About N-(4-benzamido-3-cyano-5-phenylmethoxy-2-prop-2-enylphenyl)benzamide

N-(4-benzamido-3-cyano-5-phenylmethoxy-2-prop-2-enylphenyl)benzamide (PubChem CID 11812928) has the molecular formula C31H25N3O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-(4-benzamido-3-cyano-5-phenylmethoxy-2-prop-2-enylphenyl)benzamide.

Molecular Properties

Compound NameN-(4-benzamido-3-cyano-5-phenylmethoxy-2-prop-2-enylphenyl)benzamide
PubChem CID11812928
Molecular FormulaC31H25N3O3
Molecular Weight487.56 g/mol
Exact Mass487.19
IUPAC NameN-(4-benzamido-3-cyano-5-phenylmethoxy-2-prop-2-enylphenyl)benzamide
SMILESC=CCc1c(NC(=O)c2ccccc2)cc(OCc2ccccc2)c(NC(=O)c2ccccc2)c1C#N
InChIInChI=1S/C31H25N3O3/c1-2-12-25-26(20-32)29(34-31(36)24-17-10-5-11-18-24)28(37-21-22-13-6-3-7-14-22)19-27(25)33-30(35)23-15-8-4-9-16-23/h2-11,13-19H,1,12,21H2,(H,33,35)(H,34,36)
InChIKeySIOMZVCUPQNFSW-UHFFFAOYSA-N
XLogP6.37
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.56
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-benzamido-3-phenylmethoxyphenyl)benzamide
CID 5314877
5-phenylmethoxy-4-prop-2-enylbenzene-1,3-dicarboxylic acid
CID 11098989
3-phenylmethoxy-2-prop-2-enylbenzaldehyde
CID 11357203
4-bromo-N-(2-phenylmethoxyphenyl)benzamide
CID 54791158
(E)-3-(3-phenylmethoxy-2-prop-2-enylphenyl)prop-2-enenitrile
CID 18522243
3-bromo-N-(2-phenylmethoxyphenyl)benzamide
CID 54790844
2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098011
3-ethoxy-N-(2-phenylmethoxyphenyl)benzamide
CID 17093571
methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate
CID 17178291
N-(2-cyanophenyl)-3-prop-2-enoxybenzamide
CID 2994048
N-(3-phenylmethoxy-4-prop-2-enylphenyl)acetamide
CID 18973919
3-phenylmethoxy-4-prop-2-enylphenol
CID 174520142

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-3-cyano-5-phenylmethoxy-2-prop-2-enylphenyl)benzamide?
The IUPAC name of N-(4-benzamido-3-cyano-5-phenylmethoxy-2-prop-2-enylphenyl)benzamide (CID 11812928) is N-(4-benzamido-3-cyano-5-phenylmethoxy-2-prop-2-enylphenyl)benzamide.
What is the SMILES notation for N-(4-benzamido-3-cyano-5-phenylmethoxy-2-prop-2-enylphenyl)benzamide?
The canonical SMILES for N-(4-benzamido-3-cyano-5-phenylmethoxy-2-prop-2-enylphenyl)benzamide is C=CCc1c(NC(=O)c2ccccc2)cc(OCc2ccccc2)c(NC(=O)c2ccccc2)c1C#N.
What is the InChIKey of N-(4-benzamido-3-cyano-5-phenylmethoxy-2-prop-2-enylphenyl)benzamide?
The InChIKey is SIOMZVCUPQNFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N3O3/c1-2-12-25-26(20-32)29(34-31(36)24-17-10-5-11-18-24)28(37-21-22-13-6-3-7-14-22)19-27(25)33-30(35)23-15-8-4-9-16-23/h2-11,13-19H,1,12,21H2,(H,33,35)(H,34,36).
What are the key properties of N-(4-benzamido-3-cyano-5-phenylmethoxy-2-prop-2-enylphenyl)benzamide?
N-(4-benzamido-3-cyano-5-phenylmethoxy-2-prop-2-enylphenyl)benzamide has a molecular weight of 487.56 g/mol, XLogP of 6.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-3-cyano-5-phenylmethoxy-2-prop-2-enylphenyl)benzamide is sourced from PubChem (CID 11812928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).