N-[(1R)-1-(cyclohexen-1-yl)-3-methyl-2-oxobutyl]-2-methylpropanamide

C15H25NO2 — CID 176576543

IUPACN-[(1R)-1-(cyclohexen-1-yl)-3-methyl-2-oxobutyl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H](C(=O)C(C)C)C1=CCCCC1
InChIInChI=1S/C15H25NO2/c1-10(2)14(17)13(16-15(18)11(3)4)12-8-6-5-7-9-12/h8,10-11,13H,5-7,9H2,1-4H3,(H,16,18)/t13-/m1/s1
InChIKeyOTNZXYJVLTYCBJ-CYBMUJFWSA-N
MW251.37 g/mol
LogP2.85
Rot. Bonds5

About N-[(1R)-1-(cyclohexen-1-yl)-3-methyl-2-oxobutyl]-2-methylpropanamide

N-[(1R)-1-(cyclohexen-1-yl)-3-methyl-2-oxobutyl]-2-methylpropanamide (PubChem CID 176576543) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(1R)-1-(cyclohexen-1-yl)-3-methyl-2-oxobutyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1R)-1-(cyclohexen-1-yl)-3-methyl-2-oxobutyl]-2-methylpropanamide
PubChem CID176576543
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[(1R)-1-(cyclohexen-1-yl)-3-methyl-2-oxobutyl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H](C(=O)C(C)C)C1=CCCCC1
InChIInChI=1S/C15H25NO2/c1-10(2)14(17)13(16-15(18)11(3)4)12-8-6-5-7-9-12/h8,10-11,13H,5-7,9H2,1-4H3,(H,16,18)/t13-/m1/s1
InChIKeyOTNZXYJVLTYCBJ-CYBMUJFWSA-N
XLogP2.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(cycloocten-1-yl)butanoic acid
CID 154246117
1-(cyclohexen-1-yl)ethyl methyl carbonate
CID 102371125
4-[[(1S)-1-(cyclohexen-1-yl)ethyl]amino]-4-oxobutanoic acid
CID 126444702
3-(cyclododecen-1-yl)-4-oxo-4-propan-2-yloxybutanoic acid
CID 154411669
1-(1-iodoethyl)cyclohexene
CID 126621262
1-(cycloocten-1-yl)-N-methylethanamine
CID 106652570
2-(cyclohexen-1-yl)-N-propan-2-ylprop-2-enamide
CID 102343479
3-[1-(cyclohexen-1-yl)ethylcarbamoylamino]propanoic acid
CID 131916982
cyclohexen-1-ylmethanediol
CID 21392290
ethyl 2-[(1E)-cyclodecen-1-yl]propanoate
CID 15353405
ethyl 2-(cyclohepten-1-yl)propanoate
CID 15353402
ethyl 2-(cyclododecen-1-yl)propanoate
CID 57035955

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(cyclohexen-1-yl)-3-methyl-2-oxobutyl]-2-methylpropanamide?
The IUPAC name of N-[(1R)-1-(cyclohexen-1-yl)-3-methyl-2-oxobutyl]-2-methylpropanamide (CID 176576543) is N-[(1R)-1-(cyclohexen-1-yl)-3-methyl-2-oxobutyl]-2-methylpropanamide.
What is the SMILES notation for N-[(1R)-1-(cyclohexen-1-yl)-3-methyl-2-oxobutyl]-2-methylpropanamide?
The canonical SMILES for N-[(1R)-1-(cyclohexen-1-yl)-3-methyl-2-oxobutyl]-2-methylpropanamide is CC(C)C(=O)N[C@@H](C(=O)C(C)C)C1=CCCCC1.
What is the InChIKey of N-[(1R)-1-(cyclohexen-1-yl)-3-methyl-2-oxobutyl]-2-methylpropanamide?
The InChIKey is OTNZXYJVLTYCBJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10(2)14(17)13(16-15(18)11(3)4)12-8-6-5-7-9-12/h8,10-11,13H,5-7,9H2,1-4H3,(H,16,18)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(cyclohexen-1-yl)-3-methyl-2-oxobutyl]-2-methylpropanamide?
N-[(1R)-1-(cyclohexen-1-yl)-3-methyl-2-oxobutyl]-2-methylpropanamide has a molecular weight of 251.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(cyclohexen-1-yl)-3-methyl-2-oxobutyl]-2-methylpropanamide is sourced from PubChem (CID 176576543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).