N-(2-hydroxyethyl)-N-methyloxane-2-carboxamide

C9H17NO3 — CID 62212648

IUPACN-(2-hydroxyethyl)-N-methyloxane-2-carboxamide
SMILESCN(CCO)C(=O)C1CCCCO1
InChIInChI=1S/C9H17NO3/c1-10(5-6-11)9(12)8-4-2-3-7-13-8/h8,11H,2-7H2,1H3
InChIKeyHBDJKNGHYZSXOD-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.01
Rot. Bonds3

About N-(2-hydroxyethyl)-N-methyloxane-2-carboxamide

N-(2-hydroxyethyl)-N-methyloxane-2-carboxamide (PubChem CID 62212648) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyloxane-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyloxane-2-carboxamide
PubChem CID62212648
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-(2-hydroxyethyl)-N-methyloxane-2-carboxamide
SMILESCN(CCO)C(=O)C1CCCCO1
InChIInChI=1S/C9H17NO3/c1-10(5-6-11)9(12)8-4-2-3-7-13-8/h8,11H,2-7H2,1H3
InChIKeyHBDJKNGHYZSXOD-UHFFFAOYSA-N
XLogP0.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyloxane-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyloxane-2-carboxamide (CID 62212648) is N-(2-hydroxyethyl)-N-methyloxane-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyloxane-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyloxane-2-carboxamide is CN(CCO)C(=O)C1CCCCO1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyloxane-2-carboxamide?
The InChIKey is HBDJKNGHYZSXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-10(5-6-11)9(12)8-4-2-3-7-13-8/h8,11H,2-7H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyloxane-2-carboxamide?
N-(2-hydroxyethyl)-N-methyloxane-2-carboxamide has a molecular weight of 187.24 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyloxane-2-carboxamide is sourced from PubChem (CID 62212648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).