(2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide

C14H24N2O — CID 164637874

IUPAC(2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide
SMILESCC[C@](C)(C#N)C(=O)NCC1CCCCCC1
InChIInChI=1S/C14H24N2O/c1-3-14(2,11-15)13(17)16-10-12-8-6-4-5-7-9-12/h12H,3-10H2,1-2H3,(H,16,17)/t14-/m1/s1
InChIKeyPFBFVWGVXMEKNY-CQSZACIVSA-N
MW236.36 g/mol
LogP3.01
Rot. Bonds4

About (2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide

(2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide (PubChem CID 164637874) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide
PubChem CID164637874
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide
SMILESCC[C@](C)(C#N)C(=O)NCC1CCCCCC1
InChIInChI=1S/C14H24N2O/c1-3-14(2,11-15)13(17)16-10-12-8-6-4-5-7-9-12/h12H,3-10H2,1-2H3,(H,16,17)/t14-/m1/s1
InChIKeyPFBFVWGVXMEKNY-CQSZACIVSA-N
XLogP3.01
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide
CID 114291632
2-cyano-N-(cyclopentylmethyl)-2-ethylbutanamide
CID 55207756
2-cyano-2-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296190
2-amino-N-(cyclopentylmethyl)-2-methylbutanamide
CID 79796793
2-cyano-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide
CID 113270371
2-cyano-N-(2-hydroxycycloheptyl)-2-methylbutanamide
CID 113394780
2-cyano-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbutanamide
CID 113270370
2-amino-N-(cyclopentylmethyl)-2-methylpropanamide
CID 61266758
2-cyano-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbutanamide
CID 114291149
N-(cyclopropylmethyl)-2,2-dimethylbutanamide
CID 89142508
2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide
CID 113359686
2-amino-N-(cyclooctylmethyl)-2-methylpentanamide;hydrochloride
CID 119741898

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide?
The IUPAC name of (2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide (CID 164637874) is (2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide.
What is the SMILES notation for (2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide?
The canonical SMILES for (2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide is CC[C@](C)(C#N)C(=O)NCC1CCCCCC1.
What is the InChIKey of (2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide?
The InChIKey is PFBFVWGVXMEKNY-CQSZACIVSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-14(2,11-15)13(17)16-10-12-8-6-4-5-7-9-12/h12H,3-10H2,1-2H3,(H,16,17)/t14-/m1/s1.
What are the key properties of (2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide?
(2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide has a molecular weight of 236.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide is sourced from PubChem (CID 164637874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).