2-(cyclohexylmethyl)-6-methyl-3-oxoheptanamide

C15H27NO2 — CID 139703570

IUPAC2-(cyclohexylmethyl)-6-methyl-3-oxoheptanamide
SMILESCC(C)CCC(=O)C(CC1CCCCC1)C(N)=O
InChIInChI=1S/C15H27NO2/c1-11(2)8-9-14(17)13(15(16)18)10-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H2,16,18)
InChIKeyHOKARHBLEXDTOA-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.06
Rot. Bonds7

About 2-(cyclohexylmethyl)-6-methyl-3-oxoheptanamide

2-(cyclohexylmethyl)-6-methyl-3-oxoheptanamide (PubChem CID 139703570) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-6-methyl-3-oxoheptanamide.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-6-methyl-3-oxoheptanamide
PubChem CID139703570
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-(cyclohexylmethyl)-6-methyl-3-oxoheptanamide
SMILESCC(C)CCC(=O)C(CC1CCCCC1)C(N)=O
InChIInChI=1S/C15H27NO2/c1-11(2)8-9-14(17)13(15(16)18)10-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H2,16,18)
InChIKeyHOKARHBLEXDTOA-UHFFFAOYSA-N
XLogP3.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-4-methylpentanamide
CID 14478731
(2S,3R,4S)-2-amino-1-cyclohexyl-7-methyloctane-3,4-diol
CID 15042536
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
2-cyclopropyl-6-methylheptan-3-one
CID 114966781
(2S)-1-cyclohexyl-2-(dibenzylamino)-6-methylheptan-3-one
CID 10894772
(2R)-1-cyclohexyl-3-methylbutan-2-amine
CID 118964474
1-cycloheptyl-5-methylhexan-2-ol
CID 115783773
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
N-[N'-[(2R)-1-cyclohexyl-6-methyl-3-oxoheptan-2-yl]carbamimidoyl]-2-[(2S)-5-oxopyrrolidin-2-yl]acetamide
CID 158539287
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid
CID 10987299

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-6-methyl-3-oxoheptanamide?
The IUPAC name of 2-(cyclohexylmethyl)-6-methyl-3-oxoheptanamide (CID 139703570) is 2-(cyclohexylmethyl)-6-methyl-3-oxoheptanamide.
What is the SMILES notation for 2-(cyclohexylmethyl)-6-methyl-3-oxoheptanamide?
The canonical SMILES for 2-(cyclohexylmethyl)-6-methyl-3-oxoheptanamide is CC(C)CCC(=O)C(CC1CCCCC1)C(N)=O.
What is the InChIKey of 2-(cyclohexylmethyl)-6-methyl-3-oxoheptanamide?
The InChIKey is HOKARHBLEXDTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11(2)8-9-14(17)13(15(16)18)10-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H2,16,18).
What are the key properties of 2-(cyclohexylmethyl)-6-methyl-3-oxoheptanamide?
2-(cyclohexylmethyl)-6-methyl-3-oxoheptanamide has a molecular weight of 253.39 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-6-methyl-3-oxoheptanamide is sourced from PubChem (CID 139703570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).