N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide

C15H29NO2 — CID 65118984

IUPACN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide
SMILESCCCCCC(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C15H29NO2/c1-4-5-6-7-13(17)16-12-15(18)10-8-14(2,3)9-11-15/h18H,4-12H2,1-3H3,(H,16,17)
InChIKeyIKRRKYIJYDCUIK-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.01
Rot. Bonds6

About N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide (PubChem CID 65118984) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide
PubChem CID65118984
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide
SMILESCCCCCC(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C15H29NO2/c1-4-5-6-7-13(17)16-12-15(18)10-8-14(2,3)9-11-15/h18H,4-12H2,1-3H3,(H,16,17)
InChIKeyIKRRKYIJYDCUIK-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]nonanamide
CID 115668880
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pent-4-enamide
CID 65119283
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(propylamino)acetamide
CID 65120371
3-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-3-oxopropanoic acid
CID 65123311
2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 65119187
1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea
CID 65121622
N-[[1-(chloromethyl)cyclopentyl]methyl]octanamide
CID 115363870
N-[[1-(chloromethyl)cyclohexyl]methyl]decanamide
CID 103969577
N-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide
CID 115456236
N-[(1-aminocyclobutyl)methyl]decanamide
CID 113412065
3-(2,2-difluoroethoxy)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]propanamide
CID 103209084
3-(ethylamino)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]butanamide
CID 65120418

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide?
The IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide (CID 65118984) is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide.
What is the SMILES notation for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide?
The canonical SMILES for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide is CCCCCC(=O)NCC1(O)CCC(C)(C)CC1.
What is the InChIKey of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide?
The InChIKey is IKRRKYIJYDCUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-5-6-7-13(17)16-12-15(18)10-8-14(2,3)9-11-15/h18H,4-12H2,1-3H3,(H,16,17).
What are the key properties of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide?
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide has a molecular weight of 255.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide is sourced from PubChem (CID 65118984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).