N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-(oxolan-2-yl)propanamide

C15H27NO3 — CID 55086501

IUPACN-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-(oxolan-2-yl)propanamide
SMILESCC1CCCC(CO)(NC(=O)CCC2CCCO2)C1
InChIInChI=1S/C15H27NO3/c1-12-4-2-8-15(10-12,11-17)16-14(18)7-6-13-5-3-9-19-13/h12-13,17H,2-11H2,1H3,(H,16,18)
InChIKeyZFVOVTJZYULUTP-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.00
Rot. Bonds5

About N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-(oxolan-2-yl)propanamide

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-(oxolan-2-yl)propanamide (PubChem CID 55086501) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-(oxolan-2-yl)propanamide
PubChem CID55086501
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-(oxolan-2-yl)propanamide
SMILESCC1CCCC(CO)(NC(=O)CCC2CCCO2)C1
InChIInChI=1S/C15H27NO3/c1-12-4-2-8-15(10-12,11-17)16-14(18)7-6-13-5-3-9-19-13/h12-13,17H,2-11H2,1H3,(H,16,18)
InChIKeyZFVOVTJZYULUTP-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-(oxolan-2-yl)propanamide (CID 55086501) is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-(oxolan-2-yl)propanamide is CC1CCCC(CO)(NC(=O)CCC2CCCO2)C1.
What is the InChIKey of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-(oxolan-2-yl)propanamide?
The InChIKey is ZFVOVTJZYULUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-12-4-2-8-15(10-12,11-17)16-14(18)7-6-13-5-3-9-19-13/h12-13,17H,2-11H2,1H3,(H,16,18).
What are the key properties of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-(oxolan-2-yl)propanamide?
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-(oxolan-2-yl)propanamide has a molecular weight of 269.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 55086501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).