N-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide

C14H16N2O2 — CID 113319304

IUPACN-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1ccc(OCC#N)cc1
InChIInChI=1S/C14H16N2O2/c1-14(2)9-12(14)13(17)16-10-3-5-11(6-4-10)18-8-7-15/h3-6,12H,8-9H2,1-2H3,(H,16,17)
InChIKeyGGTGPLZSPQSSLW-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.57
Rot. Bonds4

About N-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide

N-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 113319304) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID113319304
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1ccc(OCC#N)cc1
InChIInChI=1S/C14H16N2O2/c1-14(2)9-12(14)13(17)16-10-3-5-11(6-4-10)18-8-7-15/h3-6,12H,8-9H2,1-2H3,(H,16,17)
InChIKeyGGTGPLZSPQSSLW-UHFFFAOYSA-N
XLogP2.57
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide
CID 65018856
(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 6932479
3-[[4-(cyanomethoxy)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 56809692
N-[4-(cyanomethoxy)phenyl]azepane-2-carboxamide
CID 64564416
2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide
CID 63679924
4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide
CID 20632813
N-[4-(cyanomethoxy)phenyl]-2-cyclopentylacetamide
CID 51177132
N-[4-(cyanomethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 61248513
N-[4-(cyanomethoxy)phenyl]-5-oxopiperazine-2-carboxamide
CID 107435712
2-(azetidin-3-yl)-N-[4-(cyanomethoxy)phenyl]acetamide
CID 64610182
2-(1-aminocyclopentyl)-N-[4-(cyanomethoxy)phenyl]acetamide
CID 64677584
N-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 15487895

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide (CID 113319304) is N-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)Nc1ccc(OCC#N)cc1.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is GGTGPLZSPQSSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-14(2)9-12(14)13(17)16-10-3-5-11(6-4-10)18-8-7-15/h3-6,12H,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide?
N-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 113319304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).