N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N-methylpropanamide

C11H21NO4 — CID 114951394

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N-methylpropanamide
SMILESCOC(C)C(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C11H21NO4/c1-9(15-3)10(13)12(2)8-11(14)4-6-16-7-5-11/h9,14H,4-8H2,1-3H3
InChIKeyNTMMXYJZECVHRS-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.02
Rot. Bonds4

About N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N-methylpropanamide

N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N-methylpropanamide (PubChem CID 114951394) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N-methylpropanamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N-methylpropanamide
PubChem CID114951394
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N-methylpropanamide
SMILESCOC(C)C(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C11H21NO4/c1-9(15-3)10(13)12(2)8-11(14)4-6-16-7-5-11/h9,14H,4-8H2,1-3H3
InChIKeyNTMMXYJZECVHRS-UHFFFAOYSA-N
XLogP0.02
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N-methylpropanamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N-methylpropanamide (CID 114951394) is N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N-methylpropanamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N-methylpropanamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N-methylpropanamide is COC(C)C(=O)N(C)CC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N-methylpropanamide?
The InChIKey is NTMMXYJZECVHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-9(15-3)10(13)12(2)8-11(14)4-6-16-7-5-11/h9,14H,4-8H2,1-3H3.
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N-methylpropanamide?
N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N-methylpropanamide has a molecular weight of 231.29 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N-methylpropanamide is sourced from PubChem (CID 114951394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).