N-(4-cyanophenyl)-2-methoxy-N,2-dimethylbutanamide

C14H18N2O2 — CID 114105638

IUPACN-(4-cyanophenyl)-2-methoxy-N,2-dimethylbutanamide
SMILESCCC(C)(OC)C(=O)N(C)c1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O2/c1-5-14(2,18-4)13(17)16(3)12-8-6-11(10-15)7-9-12/h6-9H,5H2,1-4H3
InChIKeyBILCIKXDRMVXBU-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.34
Rot. Bonds4

About N-(4-cyanophenyl)-2-methoxy-N,2-dimethylbutanamide

N-(4-cyanophenyl)-2-methoxy-N,2-dimethylbutanamide (PubChem CID 114105638) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-methoxy-N,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-methoxy-N,2-dimethylbutanamide
PubChem CID114105638
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(4-cyanophenyl)-2-methoxy-N,2-dimethylbutanamide
SMILESCCC(C)(OC)C(=O)N(C)c1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O2/c1-5-14(2,18-4)13(17)16(3)12-8-6-11(10-15)7-9-12/h6-9H,5H2,1-4H3
InChIKeyBILCIKXDRMVXBU-UHFFFAOYSA-N
XLogP2.34
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methoxy-2-methylbutanoyl)-methylamino]benzoic acid
CID 114105321
2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide
CID 79811112
N-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 103429961
2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide
CID 62983360
N-(4-cyanophenyl)-2-(ethylamino)-N,2-dimethylpropanamide
CID 62982145
N-[4-[3-(4-cyanophenoxy)propoxy]phenyl]-N,2,2-trimethylpropanamide
CID 112827984
1-(4-cyanophenyl)-3,3-diethyl-1-methylurea
CID 79161464
2-cyano-N-(4-methoxyphenyl)-N,2-dimethylbutanamide
CID 114291390
2-bromo-N-(4-cyanophenyl)-N-methylacetamide
CID 63679745
4-cyano-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 63960210
2-cyano-N-(4-cyanophenyl)-N-methylbutanamide
CID 62981149
N-(4-cyanophenyl)-3-methoxy-N-methylbenzamide
CID 62982758

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-methoxy-N,2-dimethylbutanamide?
The IUPAC name of N-(4-cyanophenyl)-2-methoxy-N,2-dimethylbutanamide (CID 114105638) is N-(4-cyanophenyl)-2-methoxy-N,2-dimethylbutanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-methoxy-N,2-dimethylbutanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-methoxy-N,2-dimethylbutanamide is CCC(C)(OC)C(=O)N(C)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-methoxy-N,2-dimethylbutanamide?
The InChIKey is BILCIKXDRMVXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-5-14(2,18-4)13(17)16(3)12-8-6-11(10-15)7-9-12/h6-9H,5H2,1-4H3.
What are the key properties of N-(4-cyanophenyl)-2-methoxy-N,2-dimethylbutanamide?
N-(4-cyanophenyl)-2-methoxy-N,2-dimethylbutanamide has a molecular weight of 246.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-methoxy-N,2-dimethylbutanamide is sourced from PubChem (CID 114105638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).