3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide

C23H22N2O3 — CID 40718395

IUPAC3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCNC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H22N2O3/c1-28-21-9-5-8-20(16-21)23(27)25-15-14-24-22(26)19-12-10-18(11-13-19)17-6-3-2-4-7-17/h2-13,16H,14-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyMHZMLFVZMBCTLE-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.52
Rot. Bonds7

About 3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide

3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide (PubChem CID 40718395) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
PubChem CID40718395
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCNC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H22N2O3/c1-28-21-9-5-8-20(16-21)23(27)25-15-14-24-22(26)19-12-10-18(11-13-19)17-6-3-2-4-7-17/h2-13,16H,14-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyMHZMLFVZMBCTLE-UHFFFAOYSA-N
XLogP3.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide
CID 7354272
3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108539227
N-[2-[(3-methoxybenzoyl)amino]ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 86921294
N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide
CID 36915136
3-methoxy-N-[2-[[N'-methyl-N-(2-phenoxyethyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111005192
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide
CID 90499517
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide (CID 40718395) is 3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide is COc1cccc(C(=O)NCCNC(=O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide?
The InChIKey is MHZMLFVZMBCTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-28-21-9-5-8-20(16-21)23(27)25-15-14-24-22(26)19-12-10-18(11-13-19)17-6-3-2-4-7-17/h2-13,16H,14-15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide?
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide has a molecular weight of 374.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 40718395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).