N-[2-(hydroxymethyl)cyclohexyl]-2-morpholin-3-ylacetamide

C13H24N2O3 — CID 114178712

IUPACN-[2-(hydroxymethyl)cyclohexyl]-2-morpholin-3-ylacetamide
SMILESO=C(CC1COCCN1)NC1CCCCC1CO
InChIInChI=1S/C13H24N2O3/c16-8-10-3-1-2-4-12(10)15-13(17)7-11-9-18-6-5-14-11/h10-12,14,16H,1-9H2,(H,15,17)
InChIKeyPCGMNSRXFSTRID-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.03
Rot. Bonds4

About N-[2-(hydroxymethyl)cyclohexyl]-2-morpholin-3-ylacetamide

N-[2-(hydroxymethyl)cyclohexyl]-2-morpholin-3-ylacetamide (PubChem CID 114178712) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-2-morpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-2-morpholin-3-ylacetamide
PubChem CID114178712
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-2-morpholin-3-ylacetamide
SMILESO=C(CC1COCCN1)NC1CCCCC1CO
InChIInChI=1S/C13H24N2O3/c16-8-10-3-1-2-4-12(10)15-13(17)7-11-9-18-6-5-14-11/h10-12,14,16H,1-9H2,(H,15,17)
InChIKeyPCGMNSRXFSTRID-UHFFFAOYSA-N
XLogP0.03
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-morpholin-3-ylacetamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-morpholin-3-ylacetamide (CID 114178712) is N-[2-(hydroxymethyl)cyclohexyl]-2-morpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-2-morpholin-3-ylacetamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-2-morpholin-3-ylacetamide is O=C(CC1COCCN1)NC1CCCCC1CO.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-2-morpholin-3-ylacetamide?
The InChIKey is PCGMNSRXFSTRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c16-8-10-3-1-2-4-12(10)15-13(17)7-11-9-18-6-5-14-11/h10-12,14,16H,1-9H2,(H,15,17).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-2-morpholin-3-ylacetamide?
N-[2-(hydroxymethyl)cyclohexyl]-2-morpholin-3-ylacetamide has a molecular weight of 256.35 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-2-morpholin-3-ylacetamide is sourced from PubChem (CID 114178712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).