N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)butanamide

C15H29NO2 — CID 115186801

IUPACN-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)butanamide
SMILESCCC(CO)C(=O)NCC(C)(C)C1CCCCC1
InChIInChI=1S/C15H29NO2/c1-4-12(10-17)14(18)16-11-15(2,3)13-8-6-5-7-9-13/h12-13,17H,4-11H2,1-3H3,(H,16,18)
InChIKeyHNBQTJUHFLLYDE-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.73
Rot. Bonds6

About N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)butanamide

N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)butanamide (PubChem CID 115186801) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)butanamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)butanamide
PubChem CID115186801
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)butanamide
SMILESCCC(CO)C(=O)NCC(C)(C)C1CCCCC1
InChIInChI=1S/C15H29NO2/c1-4-12(10-17)14(18)16-11-15(2,3)13-8-6-5-7-9-13/h12-13,17H,4-11H2,1-3H3,(H,16,18)
InChIKeyHNBQTJUHFLLYDE-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclobutyl-2-methylpropyl)-2-(methylaminomethyl)butanamide
CID 115189025
N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)-3-methylbutanamide
CID 115187449
N-(2-cyclopentyl-2-methylpropyl)-3-hydroxypropanamide
CID 115139545
2-chloro-N-(2-cyclopropyl-2-methylpropyl)propanamide
CID 165463616
3-amino-N-(2-cyclopentyl-2-methylpropyl)butanamide
CID 115154472
4-[(2-cyclopentyl-2-methylpropyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 115165302
4-amino-N-(2-cyclohexyl-2-methylpropyl)-3-methylbutanamide
CID 115156526
2-(methylaminomethyl)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115189024
2-cyano-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutanamide
CID 115188708
3-amino-N-(2-cyclopentyl-2-methylpropyl)propanamide
CID 115153176
N-(2-cyclobutyl-2-methylpropyl)-2-sulfanylacetamide
CID 115167608
N-(2-cyclohexyl-2-methylpropyl)-4-(methylamino)butanamide
CID 115155864

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)butanamide?
The IUPAC name of N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)butanamide (CID 115186801) is N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)butanamide.
What is the SMILES notation for N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)butanamide?
The canonical SMILES for N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)butanamide is CCC(CO)C(=O)NCC(C)(C)C1CCCCC1.
What is the InChIKey of N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)butanamide?
The InChIKey is HNBQTJUHFLLYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-12(10-17)14(18)16-11-15(2,3)13-8-6-5-7-9-13/h12-13,17H,4-11H2,1-3H3,(H,16,18).
What are the key properties of N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)butanamide?
N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)butanamide has a molecular weight of 255.40 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)butanamide is sourced from PubChem (CID 115186801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).