1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]formamide

C12H14N2O — CID 115172601

IUPAC1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]formamide
SMILESCc1ccc(CCN(C)C(=O)C#N)cc1
InChIInChI=1S/C12H14N2O/c1-10-3-5-11(6-4-10)7-8-14(2)12(15)9-13/h3-6H,7-8H2,1-2H3
InChIKeyOZSQLVDSDMLQIH-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.52
Rot. Bonds3

About 1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]formamide

1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]formamide (PubChem CID 115172601) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]formamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]formamide
PubChem CID115172601
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]formamide
SMILESCc1ccc(CCN(C)C(=O)C#N)cc1
InChIInChI=1S/C12H14N2O/c1-10-3-5-11(6-4-10)7-8-14(2)12(15)9-13/h3-6H,7-8H2,1-2H3
InChIKeyOZSQLVDSDMLQIH-UHFFFAOYSA-N
XLogP1.52
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide
CID 115188667
1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115181721
1-cyano-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-methylformamide
CID 115172701
N-[2-(1,3-benzoxazol-6-yl)ethyl]-1-cyano-N-methylformamide
CID 115172688
methyl 2-[methyl-[2-(4-methylphenyl)ethyl]amino]-2-oxoacetate
CID 115142592
(E)-4-[methyl-[2-(4-methylphenyl)ethyl]amino]-4-oxobut-2-enoic acid
CID 115177304
2-amino-3-hydroxy-N-methyl-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180130
1-cyano-N-methyl-N-propylformamide
CID 115171945
N-[(4-tert-butylphenyl)methyl]-1-cyano-N-methylformamide
CID 115172283
2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 120668214
2-[dimethylsulfamoyl-[2-(4-methylphenyl)ethyl]amino]acetonitrile
CID 136543389
2-hydroxy-N-methyl-N-[2-(6-methylnaphthalen-2-yl)ethyl]acetamide
CID 115140233

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]formamide?
The IUPAC name of 1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]formamide (CID 115172601) is 1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]formamide.
What is the SMILES notation for 1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]formamide?
The canonical SMILES for 1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]formamide is Cc1ccc(CCN(C)C(=O)C#N)cc1.
What is the InChIKey of 1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]formamide?
The InChIKey is OZSQLVDSDMLQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-10-3-5-11(6-4-10)7-8-14(2)12(15)9-13/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]formamide?
1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]formamide has a molecular weight of 202.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]formamide is sourced from PubChem (CID 115172601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).