2-[(4-cyanophenyl)methylamino]-N-(2-methylphenyl)acetamide

C17H17N3O — CID 60918679

IUPAC2-[(4-cyanophenyl)methylamino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CNCc1ccc(C#N)cc1
InChIInChI=1S/C17H17N3O/c1-13-4-2-3-5-16(13)20-17(21)12-19-11-15-8-6-14(10-18)7-9-15/h2-9,19H,11-12H2,1H3,(H,20,21)
InChIKeyNMODKHHTPOZAHX-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.60
Rot. Bonds5

About 2-[(4-cyanophenyl)methylamino]-N-(2-methylphenyl)acetamide

2-[(4-cyanophenyl)methylamino]-N-(2-methylphenyl)acetamide (PubChem CID 60918679) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methylamino]-N-(2-methylphenyl)acetamide
PubChem CID60918679
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-[(4-cyanophenyl)methylamino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CNCc1ccc(C#N)cc1
InChIInChI=1S/C17H17N3O/c1-13-4-2-3-5-16(13)20-17(21)12-19-11-15-8-6-14(10-18)7-9-15/h2-9,19H,11-12H2,1H3,(H,20,21)
InChIKeyNMODKHHTPOZAHX-UHFFFAOYSA-N
XLogP2.60
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-N-(2,3-dimethylphenyl)acetamide
CID 54813873
N-(4-bromophenyl)-2-[(4-cyanophenyl)methylamino]acetamide
CID 60918337
2-(2-chloro-4-cyanoanilino)-N-(2-methylphenyl)acetamide
CID 103792073
N-carbamoyl-2-[(4-cyanophenyl)methylamino]acetamide
CID 54936182
N-(4-cyanophenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996859
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 108997079
2-(benzylamino)-N-(2-ethylphenyl)acetamide
CID 766717
2-(2-bromoprop-2-enylamino)-N-(2-methylphenyl)acetamide
CID 115745529
2-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)acetamide
CID 66170580
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
2-[(4-hydroxyphenyl)methylamino]-N-(2-methoxyphenyl)acetamide
CID 114331761
N-(2-cyanophenyl)-3-[(4-methylphenyl)methylamino]propanamide
CID 109020067

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(4-cyanophenyl)methylamino]-N-(2-methylphenyl)acetamide (CID 60918679) is 2-[(4-cyanophenyl)methylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)methylamino]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CNCc1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is NMODKHHTPOZAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-4-2-3-5-16(13)20-17(21)12-19-11-15-8-6-14(10-18)7-9-15/h2-9,19H,11-12H2,1H3,(H,20,21).
What are the key properties of 2-[(4-cyanophenyl)methylamino]-N-(2-methylphenyl)acetamide?
2-[(4-cyanophenyl)methylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 60918679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).