3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide

C10H20N2O3 — CID 114948737

IUPAC3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
SMILESCN(CC1(O)CCOCC1)C(=O)CCN
InChIInChI=1S/C10H20N2O3/c1-12(9(13)2-5-11)8-10(14)3-6-15-7-4-10/h14H,2-8,11H2,1H3
InChIKeyJSRHTPZDQSFSCX-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.66
Rot. Bonds4

About 3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide

3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide (PubChem CID 114948737) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
PubChem CID114948737
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
SMILESCN(CC1(O)CCOCC1)C(=O)CCN
InChIInChI=1S/C10H20N2O3/c1-12(9(13)2-5-11)8-10(14)3-6-15-7-4-10/h14H,2-8,11H2,1H3
InChIKeyJSRHTPZDQSFSCX-UHFFFAOYSA-N
XLogP-0.66
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide
CID 70969174
N-((4-hydroxytetrahydro-2H-pyran-4-yl)methyl)acetamide
CID 79038756
N-((4-hydroxytetrahydro-2H-pyran-4-yl)methyl)isobutyramide
CID 79039372
N-((4-hydroxytetrahydro-2H-pyran-4-yl)methyl)butyramide
CID 79039596
N-((4-hydroxytetrahydro-2H-pyran-4-yl)methyl)propionamide
CID 79039847
ethane;N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide
CID 143855420
3-amino-N-methyl-N-(oxan-4-ylmethyl)propanamide
CID 53409689
N-(3-aminopropyl)-N-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanamide
CID 55226032
4-(aminomethyl)-N-(2-hydroxypropyl)-N-methyloxane-4-carboxamide
CID 62335405
3-amino-N,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
CID 63712955
N-(2-ethyl-2-hydroxybutyl)oxane-4-carboxamide
CID 65112391
N-(2-hydroxy-2-methylbutyl)oxane-4-carboxamide
CID 65114471

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide?
The IUPAC name of 3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide (CID 114948737) is 3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide is CN(CC1(O)CCOCC1)C(=O)CCN.
What is the InChIKey of 3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide?
The InChIKey is JSRHTPZDQSFSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-12(9(13)2-5-11)8-10(14)3-6-15-7-4-10/h14H,2-8,11H2,1H3.
What are the key properties of 3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide?
3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide has a molecular weight of 216.28 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 114948737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).