3-[benzyl(cyanomethyl)amino]-N-(2-phenoxyphenyl)propanamide

C24H23N3O2 — CID 56525379

IUPAC3-[benzyl(cyanomethyl)amino]-N-(2-phenoxyphenyl)propanamide
SMILESN#CCN(CCC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H23N3O2/c25-16-18-27(19-20-9-3-1-4-10-20)17-15-24(28)26-22-13-7-8-14-23(22)29-21-11-5-2-6-12-21/h1-14H,15,17-19H2,(H,26,28)
InChIKeyGDMFNYHTAHJLSQ-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.83
Rot. Bonds9

About 3-[benzyl(cyanomethyl)amino]-N-(2-phenoxyphenyl)propanamide

3-[benzyl(cyanomethyl)amino]-N-(2-phenoxyphenyl)propanamide (PubChem CID 56525379) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-[benzyl(cyanomethyl)amino]-N-(2-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(cyanomethyl)amino]-N-(2-phenoxyphenyl)propanamide
PubChem CID56525379
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name3-[benzyl(cyanomethyl)amino]-N-(2-phenoxyphenyl)propanamide
SMILESN#CCN(CCC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H23N3O2/c25-16-18-27(19-20-9-3-1-4-10-20)17-15-24(28)26-22-13-7-8-14-23(22)29-21-11-5-2-6-12-21/h1-14H,15,17-19H2,(H,26,28)
InChIKeyGDMFNYHTAHJLSQ-UHFFFAOYSA-N
XLogP4.83
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 109023136
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide
CID 109011722
3-[cyanomethyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 82328504
3-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 113136792
N-(2-phenoxyphenyl)decanamide
CID 4091110
3-[acetyl(furan-2-ylmethyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 113118157
3-(N-acetyl-2-fluoroanilino)-N-(2-phenoxyphenyl)propanamide
CID 113126798
3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 4284031
2-[methyl(prop-2-ynyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 91652977
2-[ethyl(2-hydroxyethyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 31993096
N-[3-oxo-3-(2-phenoxyanilino)propyl]naphthalene-1-carboxamide
CID 169183116

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(cyanomethyl)amino]-N-(2-phenoxyphenyl)propanamide?
The IUPAC name of 3-[benzyl(cyanomethyl)amino]-N-(2-phenoxyphenyl)propanamide (CID 56525379) is 3-[benzyl(cyanomethyl)amino]-N-(2-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-[benzyl(cyanomethyl)amino]-N-(2-phenoxyphenyl)propanamide?
The canonical SMILES for 3-[benzyl(cyanomethyl)amino]-N-(2-phenoxyphenyl)propanamide is N#CCN(CCC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(cyanomethyl)amino]-N-(2-phenoxyphenyl)propanamide?
The InChIKey is GDMFNYHTAHJLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c25-16-18-27(19-20-9-3-1-4-10-20)17-15-24(28)26-22-13-7-8-14-23(22)29-21-11-5-2-6-12-21/h1-14H,15,17-19H2,(H,26,28).
What are the key properties of 3-[benzyl(cyanomethyl)amino]-N-(2-phenoxyphenyl)propanamide?
3-[benzyl(cyanomethyl)amino]-N-(2-phenoxyphenyl)propanamide has a molecular weight of 385.47 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(cyanomethyl)amino]-N-(2-phenoxyphenyl)propanamide is sourced from PubChem (CID 56525379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).