2-cyano-N-cyclopentyl-2-methyl-N-(3-methylbutyl)butanamide

C16H28N2O — CID 114291675

IUPAC2-cyano-N-cyclopentyl-2-methyl-N-(3-methylbutyl)butanamide
SMILESCCC(C)(C#N)C(=O)N(CCC(C)C)C1CCCC1
InChIInChI=1S/C16H28N2O/c1-5-16(4,12-17)15(19)18(11-10-13(2)3)14-8-6-7-9-14/h13-14H,5-11H2,1-4H3
InChIKeyFCLPLYWLRDJFCC-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.74
Rot. Bonds6

About 2-cyano-N-cyclopentyl-2-methyl-N-(3-methylbutyl)butanamide

2-cyano-N-cyclopentyl-2-methyl-N-(3-methylbutyl)butanamide (PubChem CID 114291675) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-cyano-N-cyclopentyl-2-methyl-N-(3-methylbutyl)butanamide.

Molecular Properties

Compound Name2-cyano-N-cyclopentyl-2-methyl-N-(3-methylbutyl)butanamide
PubChem CID114291675
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-cyano-N-cyclopentyl-2-methyl-N-(3-methylbutyl)butanamide
SMILESCCC(C)(C#N)C(=O)N(CCC(C)C)C1CCCC1
InChIInChI=1S/C16H28N2O/c1-5-16(4,12-17)15(19)18(11-10-13(2)3)14-8-6-7-9-14/h13-14H,5-11H2,1-4H3
InChIKeyFCLPLYWLRDJFCC-UHFFFAOYSA-N
XLogP3.74
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-2-cyano-N-cyclopropyl-2-methylbutanamide
CID 114291231
1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea
CID 116656765
2-cyano-N-(2-hydroxypropyl)-N,2-dimethylbutanamide
CID 114291419
2-cyano-2-ethyl-N-methyl-N-(3-methylbutyl)butanamide
CID 55208122
(2R)-2-amino-N-cyclopentyl-N-(3-methylbutyl)pentanamide
CID 103795443
2-cyano-N-ethyl-2-methyl-N-propan-2-ylbutanamide
CID 114291087
3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea
CID 115642218
N-cyclopentyl-N-(3-methylbutyl)-2-propoxyacetamide
CID 113227391
(2S)-2-amino-N-cyclopentyl-N-(3-methylbutyl)hexanamide
CID 103831497
N-cyclopentyl-N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958467
2-amino-N-cyclopentyl-3-methoxy-N-(3-methylbutyl)propanamide
CID 81101488
5-amino-N-cyclopentyl-2-methyl-N-(3-methylbutyl)pentanamide
CID 104685340

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclopentyl-2-methyl-N-(3-methylbutyl)butanamide?
The IUPAC name of 2-cyano-N-cyclopentyl-2-methyl-N-(3-methylbutyl)butanamide (CID 114291675) is 2-cyano-N-cyclopentyl-2-methyl-N-(3-methylbutyl)butanamide.
What is the SMILES notation for 2-cyano-N-cyclopentyl-2-methyl-N-(3-methylbutyl)butanamide?
The canonical SMILES for 2-cyano-N-cyclopentyl-2-methyl-N-(3-methylbutyl)butanamide is CCC(C)(C#N)C(=O)N(CCC(C)C)C1CCCC1.
What is the InChIKey of 2-cyano-N-cyclopentyl-2-methyl-N-(3-methylbutyl)butanamide?
The InChIKey is FCLPLYWLRDJFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-16(4,12-17)15(19)18(11-10-13(2)3)14-8-6-7-9-14/h13-14H,5-11H2,1-4H3.
What are the key properties of 2-cyano-N-cyclopentyl-2-methyl-N-(3-methylbutyl)butanamide?
2-cyano-N-cyclopentyl-2-methyl-N-(3-methylbutyl)butanamide has a molecular weight of 264.41 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclopentyl-2-methyl-N-(3-methylbutyl)butanamide is sourced from PubChem (CID 114291675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).