2-(2-bicyclo[2.2.1]heptanyl)-N-(4-cyanophenyl)-N-methylacetamide

C17H20N2O — CID 62982751

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(4-cyanophenyl)-N-methylacetamide
SMILESCN(C(=O)CC1CC2CCC1C2)c1ccc(C#N)cc1
InChIInChI=1S/C17H20N2O/c1-19(16-6-3-12(11-18)4-7-16)17(20)10-15-9-13-2-5-14(15)8-13/h3-4,6-7,13-15H,2,5,8-10H2,1H3
InChIKeyIUJDGQYPGSUZQH-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.35
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-cyanophenyl)-N-methylacetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(4-cyanophenyl)-N-methylacetamide (PubChem CID 62982751) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-cyanophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(4-cyanophenyl)-N-methylacetamide
PubChem CID62982751
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(4-cyanophenyl)-N-methylacetamide
SMILESCN(C(=O)CC1CC2CCC1C2)c1ccc(C#N)cc1
InChIInChI=1S/C17H20N2O/c1-19(16-6-3-12(11-18)4-7-16)17(20)10-15-9-13-2-5-14(15)8-13/h3-4,6-7,13-15H,2,5,8-10H2,1H3
InChIKeyIUJDGQYPGSUZQH-UHFFFAOYSA-N
XLogP3.35
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyanophenyl)-2-cyclopentyl-N-methylacetamide
CID 55141963
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107736090
2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide
CID 42910279
2-bromo-N-(4-cyanophenyl)-N-methylacetamide
CID 63679745
N-benzhydryl-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylacetamide
CID 21174649
2-[[(4-cyanophenyl)-methylcarbamoyl]-cyclopropylamino]acetic acid
CID 62982894
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 11938740
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 60519887
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-chlorobenzonitrile
CID 63682489
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-fluorobenzonitrile
CID 63682953
N-(4-cyanophenyl)-N-methyldecanamide
CID 65449344

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-cyanophenyl)-N-methylacetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-cyanophenyl)-N-methylacetamide (CID 62982751) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-cyanophenyl)-N-methylacetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-cyanophenyl)-N-methylacetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-cyanophenyl)-N-methylacetamide is CN(C(=O)CC1CC2CCC1C2)c1ccc(C#N)cc1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-cyanophenyl)-N-methylacetamide?
The InChIKey is IUJDGQYPGSUZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19(16-6-3-12(11-18)4-7-16)17(20)10-15-9-13-2-5-14(15)8-13/h3-4,6-7,13-15H,2,5,8-10H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-cyanophenyl)-N-methylacetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-cyanophenyl)-N-methylacetamide has a molecular weight of 268.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-cyanophenyl)-N-methylacetamide is sourced from PubChem (CID 62982751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).