N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)-3-methylbutanamide

C16H31NO2 — CID 115187449

IUPACN-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)-3-methylbutanamide
SMILESCC(C)C(CO)C(=O)NCC(C)(C)C1CCCCC1
InChIInChI=1S/C16H31NO2/c1-12(2)14(10-18)15(19)17-11-16(3,4)13-8-6-5-7-9-13/h12-14,18H,5-11H2,1-4H3,(H,17,19)
InChIKeyXCUXFAMWWQPNKB-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.97
Rot. Bonds6

About N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)-3-methylbutanamide

N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)-3-methylbutanamide (PubChem CID 115187449) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)-3-methylbutanamide
PubChem CID115187449
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)-3-methylbutanamide
SMILESCC(C)C(CO)C(=O)NCC(C)(C)C1CCCCC1
InChIInChI=1S/C16H31NO2/c1-12(2)14(10-18)15(19)17-11-16(3,4)13-8-6-5-7-9-13/h12-14,18H,5-11H2,1-4H3,(H,17,19)
InChIKeyXCUXFAMWWQPNKB-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)butanamide
CID 115186801
2-cyano-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutanamide
CID 115188708
2-chloro-N-(2-cyclopropyl-2-methylpropyl)propanamide
CID 165463616
3-amino-N-(2-cyclopentyl-2-methylpropyl)butanamide
CID 115154472
4-amino-N-(2-cyclohexyl-2-methylpropyl)-3-methylbutanamide
CID 115156526
N-(2-cyclopentyl-2-methylpropyl)-3-hydroxypropanamide
CID 115139545
N-(2-cyclobutyl-2-methylpropyl)-2-(methylaminomethyl)butanamide
CID 115189025
3-amino-N-(2-cyclopentyl-2-methylpropyl)propanamide
CID 115153176
N-(2-cyclobutyl-2-methylpropyl)-2-sulfanylacetamide
CID 115167608
(2S)-2-(hydroxymethyl)-N-[(2R)-2-hydroxy-2-phenylpropyl]-3-methylbutanamide
CID 99787425
N-(2-cyclohexyl-2-methylpropyl)-4-(methylamino)butanamide
CID 115155864
3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide
CID 115174087

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)-3-methylbutanamide?
The IUPAC name of N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)-3-methylbutanamide (CID 115187449) is N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)-3-methylbutanamide.
What is the SMILES notation for N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)-3-methylbutanamide?
The canonical SMILES for N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)-3-methylbutanamide is CC(C)C(CO)C(=O)NCC(C)(C)C1CCCCC1.
What is the InChIKey of N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)-3-methylbutanamide?
The InChIKey is XCUXFAMWWQPNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-12(2)14(10-18)15(19)17-11-16(3,4)13-8-6-5-7-9-13/h12-14,18H,5-11H2,1-4H3,(H,17,19).
What are the key properties of N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)-3-methylbutanamide?
N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)-3-methylbutanamide has a molecular weight of 269.43 g/mol, XLogP of 2.97, 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)-3-methylbutanamide is sourced from PubChem (CID 115187449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).