4-(hydroxymethyl)-N-(2,2,3-trimethylbutyl)cyclohexane-1-carboxamide

C15H29NO2 — CID 115151256

IUPAC4-(hydroxymethyl)-N-(2,2,3-trimethylbutyl)cyclohexane-1-carboxamide
SMILESCC(C)C(C)(C)CNC(=O)C1CCC(CO)CC1
InChIInChI=1S/C15H29NO2/c1-11(2)15(3,4)10-16-14(18)13-7-5-12(9-17)6-8-13/h11-13,17H,5-10H2,1-4H3,(H,16,18)
InChIKeyWAPOPTIGRLDAGS-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.58
Rot. Bonds5

About 4-(hydroxymethyl)-N-(2,2,3-trimethylbutyl)cyclohexane-1-carboxamide

4-(hydroxymethyl)-N-(2,2,3-trimethylbutyl)cyclohexane-1-carboxamide (PubChem CID 115151256) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(2,2,3-trimethylbutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(2,2,3-trimethylbutyl)cyclohexane-1-carboxamide
PubChem CID115151256
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name4-(hydroxymethyl)-N-(2,2,3-trimethylbutyl)cyclohexane-1-carboxamide
SMILESCC(C)C(C)(C)CNC(=O)C1CCC(CO)CC1
InChIInChI=1S/C15H29NO2/c1-11(2)15(3,4)10-16-14(18)13-7-5-12(9-17)6-8-13/h11-13,17H,5-10H2,1-4H3,(H,16,18)
InChIKeyWAPOPTIGRLDAGS-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methylcyclohexane-1-carboxamide
CID 109380746
5-oxo-N-(2,2,3-trimethylbutyl)pyrrolidine-3-carboxamide
CID 102610483
N-(2-hydroxy-2-methylpropyl)cyclohexanecarboxamide
CID 65109688
N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide
CID 123444332
N-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide
CID 103772299
N-(2-hydroxy-2,3-dimethylpentyl)cyclopentanecarboxamide
CID 111463685
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide
CID 81482758
N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide
CID 114493669
N-(2-bromopropyl)cyclopropanecarboxamide
CID 114308592
N-(2,2-dimethylpropyl)-4-(methylamino)cyclohexane-1-carboxamide
CID 115150663
N-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide
CID 58124356
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 119629586

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(2,2,3-trimethylbutyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-(2,2,3-trimethylbutyl)cyclohexane-1-carboxamide (CID 115151256) is 4-(hydroxymethyl)-N-(2,2,3-trimethylbutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(2,2,3-trimethylbutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(2,2,3-trimethylbutyl)cyclohexane-1-carboxamide is CC(C)C(C)(C)CNC(=O)C1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-(2,2,3-trimethylbutyl)cyclohexane-1-carboxamide?
The InChIKey is WAPOPTIGRLDAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-11(2)15(3,4)10-16-14(18)13-7-5-12(9-17)6-8-13/h11-13,17H,5-10H2,1-4H3,(H,16,18).
What are the key properties of 4-(hydroxymethyl)-N-(2,2,3-trimethylbutyl)cyclohexane-1-carboxamide?
4-(hydroxymethyl)-N-(2,2,3-trimethylbutyl)cyclohexane-1-carboxamide has a molecular weight of 255.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(2,2,3-trimethylbutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115151256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).