2-(cyclohexylmethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylbutanamide

C18H33NO3 — CID 111486098

IUPAC2-(cyclohexylmethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylbutanamide
SMILESCC(C)C(CC1CCCCC1)C(=O)NCC1(O)CCOCC1
InChIInChI=1S/C18H33NO3/c1-14(2)16(12-15-6-4-3-5-7-15)17(20)19-13-18(21)8-10-22-11-9-18/h14-16,21H,3-13H2,1-2H3,(H,19,20)
InChIKeyQYUGAOLRQVKTRO-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.89
Rot. Bonds6

About 2-(cyclohexylmethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylbutanamide

2-(cyclohexylmethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylbutanamide (PubChem CID 111486098) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylbutanamide
PubChem CID111486098
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Name2-(cyclohexylmethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylbutanamide
SMILESCC(C)C(CC1CCCCC1)C(=O)NCC1(O)CCOCC1
InChIInChI=1S/C18H33NO3/c1-14(2)16(12-15-6-4-3-5-7-15)17(20)19-13-18(21)8-10-22-11-9-18/h14-16,21H,3-13H2,1-2H3,(H,19,20)
InChIKeyQYUGAOLRQVKTRO-UHFFFAOYSA-N
XLogP2.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 111825728
2-(cyclohexylmethyl)-3-methyl-N-[3-(methylamino)propyl]butanamide
CID 119432403
N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide
CID 70969174
(2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide
CID 58124625
4-[[2-(cyclohexylmethyl)butanoylamino]methyl]oxane-4-carboxylic acid
CID 120542838
propan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate
CID 81131007
N-[(4-hydroxyoxan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 79209200
N-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 81130209
2-cyclohexyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849536
(2S)-2-(cyclohexylmethyl)-3-methylbutanoic acid
CID 22877220
N-[1-[(4-hydroxyoxan-4-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 79039871
N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylbutanamide?
The IUPAC name of 2-(cyclohexylmethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylbutanamide (CID 111486098) is 2-(cyclohexylmethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylbutanamide.
What is the SMILES notation for 2-(cyclohexylmethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylbutanamide?
The canonical SMILES for 2-(cyclohexylmethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylbutanamide is CC(C)C(CC1CCCCC1)C(=O)NCC1(O)CCOCC1.
What is the InChIKey of 2-(cyclohexylmethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylbutanamide?
The InChIKey is QYUGAOLRQVKTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3/c1-14(2)16(12-15-6-4-3-5-7-15)17(20)19-13-18(21)8-10-22-11-9-18/h14-16,21H,3-13H2,1-2H3,(H,19,20).
What are the key properties of 2-(cyclohexylmethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylbutanamide?
2-(cyclohexylmethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylbutanamide has a molecular weight of 311.47 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylbutanamide is sourced from PubChem (CID 111486098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).