N-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide

C18H35NO2 — CID 63404095

IUPACN-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide
SMILESCCCCCCCCCC(=O)NC1(CO)CCC(C)CC1
InChIInChI=1S/C18H35NO2/c1-3-4-5-6-7-8-9-10-17(21)19-18(15-20)13-11-16(2)12-14-18/h16,20H,3-15H2,1-2H3,(H,19,21)
InChIKeyVEVVZUIGXVACDQ-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.18
Rot. Bonds10

About N-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide

N-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide (PubChem CID 63404095) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide
PubChem CID63404095
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide
SMILESCCCCCCCCCC(=O)NC1(CO)CCC(C)CC1
InChIInChI=1S/C18H35NO2/c1-3-4-5-6-7-8-9-10-17(21)19-18(15-20)13-11-16(2)12-14-18/h16,20H,3-15H2,1-2H3,(H,19,21)
InChIKeyVEVVZUIGXVACDQ-UHFFFAOYSA-N
XLogP4.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.18
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

5-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pentanamide
CID 79198654
N-[1-(hydroxymethyl)cyclobutyl]nonanamide
CID 115878113
N-[1-(hydroxymethyl)cyclopentyl]heptanamide
CID 62518617
N-[1-(hydroxymethyl)cyclopropyl]pentanamide
CID 115764875
3-cyclohexyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
CID 62527693
[1-(heptylamino)-4-methylcyclohexyl]methanol
CID 55086742
[4-methyl-1-(octylamino)cyclohexyl]methanol
CID 63476632
N-[1-(chloromethyl)-3-methylcyclohexyl]nonanamide
CID 114304010
N-[1-(aminomethyl)-4-methylcyclohexyl]butanamide
CID 63766676
N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]octadecanamide
CID 129305066
1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea
CID 62525823
N-[1-(hydroxymethyl)-4-methylcyclohexyl]prop-2-enamide
CID 62526480

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide?
The IUPAC name of N-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide (CID 63404095) is N-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide?
The canonical SMILES for N-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide is CCCCCCCCCC(=O)NC1(CO)CCC(C)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide?
The InChIKey is VEVVZUIGXVACDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-3-4-5-6-7-8-9-10-17(21)19-18(15-20)13-11-16(2)12-14-18/h16,20H,3-15H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide?
N-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide has a molecular weight of 297.48 g/mol, XLogP of 4.18, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide is sourced from PubChem (CID 63404095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).