N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxypropanamide

C9H17NO4 — CID 103848964

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C9H17NO4/c1-13-4-2-8(11)10-6-9(12)3-5-14-7-9/h12H,2-7H2,1H3,(H,10,11)
InChIKeyJTYZGWYSXBQBES-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.71
Rot. Bonds5

About N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxypropanamide

N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxypropanamide (PubChem CID 103848964) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxypropanamide
PubChem CID103848964
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C9H17NO4/c1-13-4-2-8(11)10-6-9(12)3-5-14-7-9/h12H,2-7H2,1H3,(H,10,11)
InChIKeyJTYZGWYSXBQBES-UHFFFAOYSA-N
XLogP-0.71
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxypropanamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxypropanamide (CID 103848964) is N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxypropanamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxypropanamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxypropanamide is COCCC(=O)NCC1(O)CCOC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxypropanamide?
The InChIKey is JTYZGWYSXBQBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-13-4-2-8(11)10-6-9(12)3-5-14-7-9/h12H,2-7H2,1H3,(H,10,11).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxypropanamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxypropanamide has a molecular weight of 203.24 g/mol, XLogP of -0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxypropanamide is sourced from PubChem (CID 103848964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).