2-[cyanomethyl(propyl)amino]-N-(4-phenylphenyl)acetamide

C19H21N3O — CID 47069088

IUPAC2-[cyanomethyl(propyl)amino]-N-(4-phenylphenyl)acetamide
SMILESCCCN(CC#N)CC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21N3O/c1-2-13-22(14-12-20)15-19(23)21-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11H,2,13-15H2,1H3,(H,21,23)
InChIKeyMLUDRZKQACBJLI-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.53
Rot. Bonds7

About 2-[cyanomethyl(propyl)amino]-N-(4-phenylphenyl)acetamide

2-[cyanomethyl(propyl)amino]-N-(4-phenylphenyl)acetamide (PubChem CID 47069088) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[cyanomethyl(propyl)amino]-N-(4-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyanomethyl(propyl)amino]-N-(4-phenylphenyl)acetamide
PubChem CID47069088
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-[cyanomethyl(propyl)amino]-N-(4-phenylphenyl)acetamide
SMILESCCCN(CC#N)CC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21N3O/c1-2-13-22(14-12-20)15-19(23)21-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11H,2,13-15H2,1H3,(H,21,23)
InChIKeyMLUDRZKQACBJLI-UHFFFAOYSA-N
XLogP3.53
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-2-[cyanomethyl(propyl)amino]acetamide
CID 60563519
N-(4-cyanophenyl)-2-[ethyl(propyl)amino]acetamide
CID 43268748
2-[cyanomethyl(ethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 37426429
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide
CID 9038815
N-(4-cyanophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60691467
2-[cyanomethyl(propyl)amino]-N-methylacetamide
CID 61068678
3-(dipropylamino)-N-phenylpropanamide
CID 52579960
N-benzyl-4-[[2-(dipropylamino)acetyl]amino]benzamide
CID 54818841
2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
CID 54817180
N-[4-(cyanomethyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 26374350
2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109006608
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817

Frequently Asked Questions

What is the IUPAC name of 2-[cyanomethyl(propyl)amino]-N-(4-phenylphenyl)acetamide?
The IUPAC name of 2-[cyanomethyl(propyl)amino]-N-(4-phenylphenyl)acetamide (CID 47069088) is 2-[cyanomethyl(propyl)amino]-N-(4-phenylphenyl)acetamide.
What is the SMILES notation for 2-[cyanomethyl(propyl)amino]-N-(4-phenylphenyl)acetamide?
The canonical SMILES for 2-[cyanomethyl(propyl)amino]-N-(4-phenylphenyl)acetamide is CCCN(CC#N)CC(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[cyanomethyl(propyl)amino]-N-(4-phenylphenyl)acetamide?
The InChIKey is MLUDRZKQACBJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-2-13-22(14-12-20)15-19(23)21-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11H,2,13-15H2,1H3,(H,21,23).
What are the key properties of 2-[cyanomethyl(propyl)amino]-N-(4-phenylphenyl)acetamide?
2-[cyanomethyl(propyl)amino]-N-(4-phenylphenyl)acetamide has a molecular weight of 307.40 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyanomethyl(propyl)amino]-N-(4-phenylphenyl)acetamide is sourced from PubChem (CID 47069088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).