N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide

C13H25NO3 — CID 105056166

IUPACN-(2-hydroxy-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide
SMILESCOCC(O)CN(C)C(=O)C1(C)CCCCC1
InChIInChI=1S/C13H25NO3/c1-13(7-5-4-6-8-13)12(16)14(2)9-11(15)10-17-3/h11,15H,4-10H2,1-3H3
InChIKeyBWLTYBFFHJOLOT-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.42
Rot. Bonds5

About N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide

N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide (PubChem CID 105056166) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide
PubChem CID105056166
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide
SMILESCOCC(O)CN(C)C(=O)C1(C)CCCCC1
InChIInChI=1S/C13H25NO3/c1-13(7-5-4-6-8-13)12(16)14(2)9-11(15)10-17-3/h11,15H,4-10H2,1-3H3
InChIKeyBWLTYBFFHJOLOT-UHFFFAOYSA-N
XLogP1.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide (CID 105056166) is N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide is COCC(O)CN(C)C(=O)C1(C)CCCCC1.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide?
The InChIKey is BWLTYBFFHJOLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-13(7-5-4-6-8-13)12(16)14(2)9-11(15)10-17-3/h11,15H,4-10H2,1-3H3.
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide?
N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 105056166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).