N-(4-cyanophenyl)-2-[(3-methylphenyl)methylamino]acetamide

C17H17N3O — CID 108996859

IUPACN-(4-cyanophenyl)-2-[(3-methylphenyl)methylamino]acetamide
SMILESCc1cccc(CNCC(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C17H17N3O/c1-13-3-2-4-15(9-13)11-19-12-17(21)20-16-7-5-14(10-18)6-8-16/h2-9,19H,11-12H2,1H3,(H,20,21)
InChIKeyGGQRTVOQQQKSCN-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.60
Rot. Bonds5

About N-(4-cyanophenyl)-2-[(3-methylphenyl)methylamino]acetamide

N-(4-cyanophenyl)-2-[(3-methylphenyl)methylamino]acetamide (PubChem CID 108996859) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[(3-methylphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[(3-methylphenyl)methylamino]acetamide
PubChem CID108996859
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(4-cyanophenyl)-2-[(3-methylphenyl)methylamino]acetamide
SMILESCc1cccc(CNCC(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C17H17N3O/c1-13-3-2-4-15(9-13)11-19-12-17(21)20-16-7-5-14(10-18)6-8-16/h2-9,19H,11-12H2,1H3,(H,20,21)
InChIKeyGGQRTVOQQQKSCN-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-[(3-cyanophenyl)methylamino]-N-(4-methylphenyl)acetamide
CID 60917548
N-(4-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 60902471
N-(4-bromophenyl)-2-[(3-cyanophenyl)methylamino]acetamide
CID 60919142
N-(4-bromophenyl)-2-[(4-cyanophenyl)methylamino]acetamide
CID 60918337
N-methyl-2-[(3-methylphenyl)methylamino]acetamide
CID 43214398
2-[(3-cyanophenyl)methylamino]-N-methylacetamide
CID 43214956
N-(4-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347135
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[2-[4-[[2-[(3-methylphenyl)methylamino]acetyl]amino]phenyl]ethynyl]benzamide;methane
CID 159689200
3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide
CID 109034224
N-(2-methoxy-5-methylphenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996806
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[4-[4-[[2-[(3-methylphenyl)methylamino]acetyl]amino]phenyl]buta-1,3-diynyl]benzamide
CID 59697204
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-[4-[[2-[(3-methylphenyl)methylamino]acetyl]amino]phenyl]buta-1,3-diynyl]benzamide
CID 59697566

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[(3-methylphenyl)methylamino]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[(3-methylphenyl)methylamino]acetamide (CID 108996859) is N-(4-cyanophenyl)-2-[(3-methylphenyl)methylamino]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[(3-methylphenyl)methylamino]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[(3-methylphenyl)methylamino]acetamide is Cc1cccc(CNCC(=O)Nc2ccc(C#N)cc2)c1.
What is the InChIKey of N-(4-cyanophenyl)-2-[(3-methylphenyl)methylamino]acetamide?
The InChIKey is GGQRTVOQQQKSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-3-2-4-15(9-13)11-19-12-17(21)20-16-7-5-14(10-18)6-8-16/h2-9,19H,11-12H2,1H3,(H,20,21).
What are the key properties of N-(4-cyanophenyl)-2-[(3-methylphenyl)methylamino]acetamide?
N-(4-cyanophenyl)-2-[(3-methylphenyl)methylamino]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 N-(4-cyanophenyl)-2-[(3-methylphenyl)methylamino]acetamide is sourced from PubChem (CID 108996859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).