N-[(3-cyanophenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide

C18H18N2O — CID 47024081

IUPACN-[(3-cyanophenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)N(C)Cc1cccc(C#N)c1
InChIInChI=1S/C18H18N2O/c1-14-6-3-4-9-17(14)11-18(21)20(2)13-16-8-5-7-15(10-16)12-19/h3-10H,11,13H2,1-2H3
InChIKeyNQACBECCTBKXLP-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.07
Rot. Bonds4

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

N-[(3-cyanophenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide (PubChem CID 47024081) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide
PubChem CID47024081
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-[(3-cyanophenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)N(C)Cc1cccc(C#N)c1
InChIInChI=1S/C18H18N2O/c1-14-6-3-4-9-17(14)11-18(21)20(2)13-16-8-5-7-15(10-16)12-19/h3-10H,11,13H2,1-2H3
InChIKeyNQACBECCTBKXLP-UHFFFAOYSA-N
XLogP3.07
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-cyanophenyl)methyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 78916774
2-chloro-N-[(3-cyanophenyl)methyl]-N-methylacetamide
CID 60949916
1-[(3-cyanophenyl)methyl]-3-(2-ethyl-6-methylphenyl)-1-methylurea
CID 86986474
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627
N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 47161976
N-[(3-cyanophenyl)methyl]-4-hydroxy-N,2-dimethylbenzamide
CID 103863635
N-[(3-cyanophenyl)methyl]-N,3-dimethylpyridine-2-carboxamide
CID 62968450
3-[[methyl-[2-(2-methylphenyl)-2-oxoethyl]amino]methyl]benzonitrile
CID 62981347
(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-2-phenylacetamide
CID 104897437
2-[(3-cyanophenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86931089
N-[(3-cyanophenyl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 55580815
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide
CID 78788525

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide (CID 47024081) is N-[(3-cyanophenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)N(C)Cc1cccc(C#N)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide?
The InChIKey is NQACBECCTBKXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-14-6-3-4-9-17(14)11-18(21)20(2)13-16-8-5-7-15(10-16)12-19/h3-10H,11,13H2,1-2H3.
What are the key properties of N-[(3-cyanophenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide?
N-[(3-cyanophenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide has a molecular weight of 278.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 47024081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).