N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide

C24H22N2O3 — CID 4945203

IUPACN-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C24H22N2O3/c1-2-16-29-20-14-12-19(13-15-20)23(27)26-22-11-7-6-10-21(22)24(28)25-17-18-8-4-3-5-9-18/h2-15H,1,16-17H2,(H,25,28)(H,26,27)
InChIKeyZBZLTWACQLNHDP-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.43
Rot. Bonds8

About N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide

N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide (PubChem CID 4945203) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
PubChem CID4945203
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C24H22N2O3/c1-2-16-29-20-14-12-19(13-15-20)23(27)26-22-11-7-6-10-21(22)24(28)25-17-18-8-4-3-5-9-18/h2-15H,1,16-17H2,(H,25,28)(H,26,27)
InChIKeyZBZLTWACQLNHDP-UHFFFAOYSA-N
XLogP4.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4952787
N-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 40742879
N-benzyl-2-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide
CID 17112651
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
N-benzyl-2-[(4-bromobenzoyl)amino]benzamide
CID 17256451
N-[(2S)-butan-2-yl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 9172934
N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 40768505
2-[[4-(2-methoxyethoxy)benzoyl]amino]-N-prop-2-enylbenzamide
CID 17353533
N-benzyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide
CID 54843914
N-[2-(3-phenylpropoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17131462
2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 34746020
N-methyl-2-[[4-(2-phenylethoxy)benzoyl]amino]benzamide
CID 17354045

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide?
The IUPAC name of N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide (CID 4945203) is N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide?
The canonical SMILES for N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide is C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide?
The InChIKey is ZBZLTWACQLNHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-2-16-29-20-14-12-19(13-15-20)23(27)26-22-11-7-6-10-21(22)24(28)25-17-18-8-4-3-5-9-18/h2-15H,1,16-17H2,(H,25,28)(H,26,27).
What are the key properties of N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide?
N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide has a molecular weight of 386.45 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide is sourced from PubChem (CID 4945203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).