N-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyano-N,3-dimethylbutanamide

C15H24N2O — CID 55233234

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyano-N,3-dimethylbutanamide
SMILESCC(C)C(C#N)C(=O)N(C)CC1CC2CCC1C2
InChIInChI=1S/C15H24N2O/c1-10(2)14(8-16)15(18)17(3)9-13-7-11-4-5-12(13)6-11/h10-14H,4-7,9H2,1-3H3
InChIKeyQRFZBFXOKFEOQN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.68
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyano-N,3-dimethylbutanamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyano-N,3-dimethylbutanamide (PubChem CID 55233234) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyano-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyano-N,3-dimethylbutanamide
PubChem CID55233234
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyano-N,3-dimethylbutanamide
SMILESCC(C)C(C#N)C(=O)N(C)CC1CC2CCC1C2
InChIInChI=1S/C15H24N2O/c1-10(2)14(8-16)15(18)17(3)9-13-7-11-4-5-12(13)6-11/h10-14H,4-7,9H2,1-3H3
InChIKeyQRFZBFXOKFEOQN-UHFFFAOYSA-N
XLogP2.68
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide
CID 63683674
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-N-methylbutanamide
CID 63681740
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylpentanamide
CID 107569736
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4,4-trimethylpentanamide
CID 107472164
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 63682043
(2S)-2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 63682031
2-cyano-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide
CID 115188639
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide
CID 55231649
(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-4-methylsulfanylbutanamide
CID 63681786
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-oxopropanoic acid
CID 63685758
N-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-2-chloropropanamide
CID 63684997
(2S)-2-amino-N-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82964218

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyano-N,3-dimethylbutanamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyano-N,3-dimethylbutanamide (CID 55233234) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyano-N,3-dimethylbutanamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyano-N,3-dimethylbutanamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyano-N,3-dimethylbutanamide is CC(C)C(C#N)C(=O)N(C)CC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyano-N,3-dimethylbutanamide?
The InChIKey is QRFZBFXOKFEOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10(2)14(8-16)15(18)17(3)9-13-7-11-4-5-12(13)6-11/h10-14H,4-7,9H2,1-3H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyano-N,3-dimethylbutanamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyano-N,3-dimethylbutanamide has a molecular weight of 248.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyano-N,3-dimethylbutanamide is sourced from PubChem (CID 55233234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).