N-[2-(cyanomethoxy)phenyl]-3,4,4-trimethylpentanamide

C16H22N2O2 — CID 63832381

IUPACN-[2-(cyanomethoxy)phenyl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)Nc1ccccc1OCC#N)C(C)(C)C
InChIInChI=1S/C16H22N2O2/c1-12(16(2,3)4)11-15(19)18-13-7-5-6-8-14(13)20-10-9-17/h5-8,12H,10-11H2,1-4H3,(H,18,19)
InChIKeyHIBUNFFKJQIQNL-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.60
Rot. Bonds5

About N-[2-(cyanomethoxy)phenyl]-3,4,4-trimethylpentanamide

N-[2-(cyanomethoxy)phenyl]-3,4,4-trimethylpentanamide (PubChem CID 63832381) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[2-(cyanomethoxy)phenyl]-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-[2-(cyanomethoxy)phenyl]-3,4,4-trimethylpentanamide
PubChem CID63832381
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[2-(cyanomethoxy)phenyl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)Nc1ccccc1OCC#N)C(C)(C)C
InChIInChI=1S/C16H22N2O2/c1-12(16(2,3)4)11-15(19)18-13-7-5-6-8-14(13)20-10-9-17/h5-8,12H,10-11H2,1-4H3,(H,18,19)
InChIKeyHIBUNFFKJQIQNL-UHFFFAOYSA-N
XLogP3.60
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide
CID 103513721
N-(2-acetylphenyl)-3,4,4-trimethylpentanamide
CID 63823020
N-[2-(cyanomethoxy)phenyl]-3-(2,2-difluoroethoxy)propanamide
CID 103208208
N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236
1-[2-(cyanomethoxy)phenyl]-3-(4-methylphenyl)urea
CID 43437768
N-[2-(cyanomethoxy)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204415
5-bromo-N-[2-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 62958811
N-(2-butoxyphenyl)-3-methylbutanamide
CID 19204184
N-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide
CID 82707700
1-[2-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
CID 43369636
2-methyl-3-(3,4,4-trimethylpentanoylamino)benzoic acid
CID 63834812
2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168520948

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyanomethoxy)phenyl]-3,4,4-trimethylpentanamide?
The IUPAC name of N-[2-(cyanomethoxy)phenyl]-3,4,4-trimethylpentanamide (CID 63832381) is N-[2-(cyanomethoxy)phenyl]-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-[2-(cyanomethoxy)phenyl]-3,4,4-trimethylpentanamide?
The canonical SMILES for N-[2-(cyanomethoxy)phenyl]-3,4,4-trimethylpentanamide is CC(CC(=O)Nc1ccccc1OCC#N)C(C)(C)C.
What is the InChIKey of N-[2-(cyanomethoxy)phenyl]-3,4,4-trimethylpentanamide?
The InChIKey is HIBUNFFKJQIQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(16(2,3)4)11-15(19)18-13-7-5-6-8-14(13)20-10-9-17/h5-8,12H,10-11H2,1-4H3,(H,18,19).
What are the key properties of N-[2-(cyanomethoxy)phenyl]-3,4,4-trimethylpentanamide?
N-[2-(cyanomethoxy)phenyl]-3,4,4-trimethylpentanamide has a molecular weight of 274.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyanomethoxy)phenyl]-3,4,4-trimethylpentanamide is sourced from PubChem (CID 63832381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).