N-(2-hydroxyethyl)-2-methyloxane-4-carboxamide

C9H17NO3 — CID 130709056

IUPACN-(2-hydroxyethyl)-2-methyloxane-4-carboxamide
SMILESCC1CC(C(=O)NCCO)CCO1
InChIInChI=1S/C9H17NO3/c1-7-6-8(2-5-13-7)9(12)10-3-4-11/h7-8,11H,2-6H2,1H3,(H,10,12)
InChIKeyWOULYYQKXLEEAR-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.09
Rot. Bonds3

About N-(2-hydroxyethyl)-2-methyloxane-4-carboxamide

N-(2-hydroxyethyl)-2-methyloxane-4-carboxamide (PubChem CID 130709056) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methyloxane-4-carboxamide
PubChem CID130709056
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-(2-hydroxyethyl)-2-methyloxane-4-carboxamide
SMILESCC1CC(C(=O)NCCO)CCO1
InChIInChI=1S/C9H17NO3/c1-7-6-8(2-5-13-7)9(12)10-3-4-11/h7-8,11H,2-6H2,1H3,(H,10,12)
InChIKeyWOULYYQKXLEEAR-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(2-methyloxane-4-carbonyl)amino]heptanoic acid
CID 120524056
2,2-dimethyl-3-[(2-methyloxane-4-carbonyl)amino]propanoic acid
CID 120527941
N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
CID 131134003
N-ethoxy-2-methyloxane-4-carboxamide
CID 131133773
2-methyloxane-4-carboxylic acid
CID 3729256
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
3-[2-[[(2S,4S)-2-methyloxane-4-carbonyl]amino]ethyl]benzoic acid
CID 129468722
5-[[[(2R,4R)-2-methyloxane-4-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 129467906
N-(2-hydroxyethyl)cyclobutanecarboxamide
CID 43389004
4-methyl-2-[(2-methyloxane-4-carbonyl)amino]pentanoic acid
CID 120516078
ethyl 2-methyloxane-4-carboxylate
CID 131105017
3-[(2-methyloxane-4-carbonyl)amino]-3-phenylpropanoic acid
CID 120512412

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methyloxane-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methyloxane-4-carboxamide (CID 130709056) is N-(2-hydroxyethyl)-2-methyloxane-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methyloxane-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methyloxane-4-carboxamide is CC1CC(C(=O)NCCO)CCO1.
What is the InChIKey of N-(2-hydroxyethyl)-2-methyloxane-4-carboxamide?
The InChIKey is WOULYYQKXLEEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7-6-8(2-5-13-7)9(12)10-3-4-11/h7-8,11H,2-6H2,1H3,(H,10,12).
What are the key properties of N-(2-hydroxyethyl)-2-methyloxane-4-carboxamide?
N-(2-hydroxyethyl)-2-methyloxane-4-carboxamide has a molecular weight of 187.24 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methyloxane-4-carboxamide is sourced from PubChem (CID 130709056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).