N-[4-(cyanomethoxy)phenyl]-2-methyl-2-phenylpropanamide

C18H18N2O2 — CID 24654714

IUPACN-[4-(cyanomethoxy)phenyl]-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(OCC#N)cc1)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-18(2,14-6-4-3-5-7-14)17(21)20-15-8-10-16(11-9-15)22-13-12-19/h3-11H,13H2,1-2H3,(H,20,21)
InChIKeyMUPTVNPGKNVCOG-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.51
Rot. Bonds5

About N-[4-(cyanomethoxy)phenyl]-2-methyl-2-phenylpropanamide

N-[4-(cyanomethoxy)phenyl]-2-methyl-2-phenylpropanamide (PubChem CID 24654714) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]-2-methyl-2-phenylpropanamide
PubChem CID24654714
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[4-(cyanomethoxy)phenyl]-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(OCC#N)cc1)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-18(2,14-6-4-3-5-7-14)17(21)20-15-8-10-16(11-9-15)22-13-12-19/h3-11H,13H2,1-2H3,(H,20,21)
InChIKeyMUPTVNPGKNVCOG-UHFFFAOYSA-N
XLogP3.51
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 55372952
N-[4-(cyanomethoxy)phenyl]pyridine-2-carboxamide
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2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide
CID 63679924
N-[4-(2-chloroethyl)phenyl]-2-methyl-2-phenylpropanamide
CID 114299125
N-[3-(cyanomethoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 113233319
3-amino-N-[4-(cyanomethoxy)phenyl]butanamide
CID 61248145
2-[4-(2,2-dimethylpropylamino)phenoxy]acetonitrile
CID 61324519
2-hydroxyethyl N-[4-(cyanomethoxy)phenyl]carbamate
CID 79345574
N-[4-(cyanomethoxy)phenyl]-2-methylpentanamide
CID 43242605
N-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 113319304
2-(4-acetylphenoxy)-N-[4-(cyanomethoxy)phenyl]acetamide
CID 30873439
N-[4-(cyanomethoxy)phenyl]-2-methylsulfonylpropanamide
CID 112684914

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]-2-methyl-2-phenylpropanamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]-2-methyl-2-phenylpropanamide (CID 24654714) is N-[4-(cyanomethoxy)phenyl]-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]-2-methyl-2-phenylpropanamide is CC(C)(C(=O)Nc1ccc(OCC#N)cc1)c1ccccc1.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]-2-methyl-2-phenylpropanamide?
The InChIKey is MUPTVNPGKNVCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-18(2,14-6-4-3-5-7-14)17(21)20-15-8-10-16(11-9-15)22-13-12-19/h3-11H,13H2,1-2H3,(H,20,21).
What are the key properties of N-[4-(cyanomethoxy)phenyl]-2-methyl-2-phenylpropanamide?
N-[4-(cyanomethoxy)phenyl]-2-methyl-2-phenylpropanamide has a molecular weight of 294.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 24654714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).