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

C14H25NO3 — CID 62521117

IUPACN-[1-(hydroxymethyl)cyclohexyl]-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)NC1(CO)CCCCC1
InChIInChI=1S/C14H25NO3/c16-11-14(8-2-1-3-9-14)15-13(17)7-6-12-5-4-10-18-12/h12,16H,1-11H2,(H,15,17)
InChIKeyNAQCBAMHLCAKCV-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.76
Rot. Bonds5

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

N-[1-(hydroxymethyl)cyclohexyl]-3-(oxolan-2-yl)propanamide (PubChem CID 62521117) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-3-(oxolan-2-yl)propanamide
PubChem CID62521117
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)NC1(CO)CCCCC1
InChIInChI=1S/C14H25NO3/c16-11-14(8-2-1-3-9-14)15-13(17)7-6-12-5-4-10-18-12/h12,16H,1-11H2,(H,15,17)
InChIKeyNAQCBAMHLCAKCV-UHFFFAOYSA-N
XLogP1.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-3-(oxolan-2-yl)propanamide (CID 62521117) is N-[1-(hydroxymethyl)cyclohexyl]-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-3-(oxolan-2-yl)propanamide is O=C(CCC1CCCO1)NC1(CO)CCCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-3-(oxolan-2-yl)propanamide?
The InChIKey is NAQCBAMHLCAKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c16-11-14(8-2-1-3-9-14)15-13(17)7-6-12-5-4-10-18-12/h12,16H,1-11H2,(H,15,17).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-3-(oxolan-2-yl)propanamide?
N-[1-(hydroxymethyl)cyclohexyl]-3-(oxolan-2-yl)propanamide has a molecular weight of 255.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 62521117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).