3-(hydroxymethyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]oxetane-3-carboxamide

C13H23NO4 — CID 115185474

IUPAC3-(hydroxymethyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]oxetane-3-carboxamide
SMILESCN(CCC1CCOCC1)C(=O)C1(CO)COC1
InChIInChI=1S/C13H23NO4/c1-14(5-2-11-3-6-17-7-4-11)12(16)13(8-15)9-18-10-13/h11,15H,2-10H2,1H3
InChIKeyKYHHEAFUYWQQSQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.27
Rot. Bonds5

About 3-(hydroxymethyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]oxetane-3-carboxamide

3-(hydroxymethyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]oxetane-3-carboxamide (PubChem CID 115185474) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]oxetane-3-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]oxetane-3-carboxamide
PubChem CID115185474
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name3-(hydroxymethyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]oxetane-3-carboxamide
SMILESCN(CCC1CCOCC1)C(=O)C1(CO)COC1
InChIInChI=1S/C13H23NO4/c1-14(5-2-11-3-6-17-7-4-11)12(16)13(8-15)9-18-10-13/h11,15H,2-10H2,1H3
InChIKeyKYHHEAFUYWQQSQ-UHFFFAOYSA-N
XLogP0.27
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylmethyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
CID 115185404
3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid
CID 115163624
1-cyano-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide
CID 115183403
2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid
CID 115179520
3-(hydroxymethyl)-N-methyl-N-(2-phenylethyl)oxetane-3-carboxamide
CID 115185456
2-amino-4-[methyl-[2-(oxan-4-yl)ethyl]amino]-4-oxobutanoic acid
CID 115181196
3-amino-4-[methyl-[2-(oxan-4-yl)ethyl]amino]-4-oxobutanoic acid
CID 115181361
N-(2-hydroxyethyl)-N-methyl-3-(oxan-4-yl)propanamide
CID 84578578
4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide
CID 115155515
1-[methyl-[2-(oxan-4-yl)ethyl]amino]propan-2-one
CID 115235227
4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]pentanamide
CID 115156830
3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclopentane-1-carboxamide
CID 119798087

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]oxetane-3-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]oxetane-3-carboxamide (CID 115185474) is 3-(hydroxymethyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]oxetane-3-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]oxetane-3-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]oxetane-3-carboxamide is CN(CCC1CCOCC1)C(=O)C1(CO)COC1.
What is the InChIKey of 3-(hydroxymethyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]oxetane-3-carboxamide?
The InChIKey is KYHHEAFUYWQQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-14(5-2-11-3-6-17-7-4-11)12(16)13(8-15)9-18-10-13/h11,15H,2-10H2,1H3.
What are the key properties of 3-(hydroxymethyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]oxetane-3-carboxamide?
3-(hydroxymethyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]oxetane-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]oxetane-3-carboxamide is sourced from PubChem (CID 115185474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).