N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide

C15H25N3O2 — CID 71979380

IUPACN-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)NC(C#N)C1CCCCC1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)14(20)17-10-13(19)18-12(9-16)11-7-5-4-6-8-11/h11-12H,4-8,10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyLYMCNGYMXZWEDY-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.74
Rot. Bonds4

About N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 71979380) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID71979380
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)NC(C#N)C1CCCCC1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)14(20)17-10-13(19)18-12(9-16)11-7-5-4-6-8-11/h11-12H,4-8,10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyLYMCNGYMXZWEDY-UHFFFAOYSA-N
XLogP1.74
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-3,5-difluorobenzamide
CID 86796436
N-[cyano(cyclohexyl)methyl]-2-ethoxyacetamide
CID 55136713
methyl N-[cyano(cyclohexyl)methyl]carbamate
CID 61124825
3-cyclopropyl-3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]propanoic acid
CID 81362383
2,2-dimethyl-N-[2-oxo-2-[[(1R)-1-[(3S)-oxolan-3-yl]prop-2-ynyl]amino]ethyl]propanamide
CID 99787623
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2,2-dimethylpropanamide
CID 95292122
N-[cyano(cyclopropyl)methyl]-3,4,4-trimethylpentanamide
CID 63822324
N-[cyano(cyclohexyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309839
N-[cyano(cyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide
CID 62539335
N-[(S)-cyano(cyclohexyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 95788643
N-[cyano(cyclohexyl)methyl]-3-methyl-4-oxo-4-phenylbutanamide
CID 154839987
N-[cyano(cyclohexyl)methyl]-2-phenoxyacetamide
CID 61123203

Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide (CID 71979380) is N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC(=O)NC(C#N)C1CCCCC1.
What is the InChIKey of N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is LYMCNGYMXZWEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,3)14(20)17-10-13(19)18-12(9-16)11-7-5-4-6-8-11/h11-12H,4-8,10H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 279.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 71979380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).