N-(1-cyanopropan-2-yl)-N-methyl-2-(2-methylphenyl)acetamide

C14H18N2O — CID 63224539

IUPACN-(1-cyanopropan-2-yl)-N-methyl-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)N(C)C(C)CC#N
InChIInChI=1S/C14H18N2O/c1-11-6-4-5-7-13(11)10-14(17)16(3)12(2)8-9-15/h4-7,12H,8,10H2,1-3H3
InChIKeyBDNTUBFHORHNCS-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.30
Rot. Bonds4

About N-(1-cyanopropan-2-yl)-N-methyl-2-(2-methylphenyl)acetamide

N-(1-cyanopropan-2-yl)-N-methyl-2-(2-methylphenyl)acetamide (PubChem CID 63224539) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-N-methyl-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-N-methyl-2-(2-methylphenyl)acetamide
PubChem CID63224539
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(1-cyanopropan-2-yl)-N-methyl-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)N(C)C(C)CC#N
InChIInChI=1S/C14H18N2O/c1-11-6-4-5-7-13(11)10-14(17)16(3)12(2)8-9-15/h4-7,12H,8,10H2,1-3H3
InChIKeyBDNTUBFHORHNCS-UHFFFAOYSA-N
XLogP2.30
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide
CID 63222105
2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid
CID 62627248
3-[methyl-[(2-methylphenyl)methyl]amino]butanenitrile
CID 61360593
N-(1-cyanopropan-2-yl)-N,2,3-trimethylbenzamide
CID 63224492
2-(3-aminophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide
CID 63221975
2-(3-chlorophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide
CID 63224955
N-(1-cyanopropan-2-yl)-2-hydroxy-N-methyl-2-phenylacetamide
CID 103687130
1-(1-cyanopropan-2-yl)-1-methyl-3-phenylurea
CID 63225008
N-[(2S)-1-cyanopropan-2-yl]-N,3-dimethyl-3-phenylbutanamide
CID 95329458
(2R)-2-amino-N-(1-cyanopropan-2-yl)-N-methyl-2-phenylacetamide
CID 55174347
3-benzyl-1-(1-cyanopropan-2-yl)-1-methylurea
CID 103746494
N-(1-cyanobutan-2-yl)-2-(2-methylphenyl)acetamide
CID 62645818

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-N-methyl-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-N-methyl-2-(2-methylphenyl)acetamide (CID 63224539) is N-(1-cyanopropan-2-yl)-N-methyl-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-N-methyl-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-N-methyl-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)N(C)C(C)CC#N.
What is the InChIKey of N-(1-cyanopropan-2-yl)-N-methyl-2-(2-methylphenyl)acetamide?
The InChIKey is BDNTUBFHORHNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-6-4-5-7-13(11)10-14(17)16(3)12(2)8-9-15/h4-7,12H,8,10H2,1-3H3.
What are the key properties of N-(1-cyanopropan-2-yl)-N-methyl-2-(2-methylphenyl)acetamide?
N-(1-cyanopropan-2-yl)-N-methyl-2-(2-methylphenyl)acetamide has a molecular weight of 230.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-N-methyl-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 63224539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).