3-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

C10H18N2O4 — CID 103849591

IUPAC3-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESCC(=O)NCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C10H18N2O4/c1-8(13)11-4-2-9(14)12-6-10(15)3-5-16-7-10/h15H,2-7H2,1H3,(H,11,13)(H,12,14)
InChIKeyYUKHIQTZSJDKII-UHFFFAOYSA-N
MW230.26 g/mol
LogP-1.22
Rot. Bonds5

About 3-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

3-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (PubChem CID 103849591) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
PubChem CID103849591
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESCC(=O)NCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C10H18N2O4/c1-8(13)11-4-2-9(14)12-6-10(15)3-5-16-7-10/h15H,2-7H2,1H3,(H,11,13)(H,12,14)
InChIKeyYUKHIQTZSJDKII-UHFFFAOYSA-N
XLogP-1.22
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-difluoroethoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103525863
3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103848696
N-[(3-hydroxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 113337960
2-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 126972964
2-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 75389359
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 75389364
2-ethyl-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]butanamide
CID 97243046
2-ethyl-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]butanamide
CID 97243047
N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-4-methylpentanamide
CID 97243062
N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methylpentanamide
CID 97243063
2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 103430421
N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylpentanamide
CID 103525861

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The IUPAC name of 3-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (CID 103849591) is 3-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The canonical SMILES for 3-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide is CC(=O)NCCC(=O)NCC1(O)CCOC1.
What is the InChIKey of 3-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The InChIKey is YUKHIQTZSJDKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-8(13)11-4-2-9(14)12-6-10(15)3-5-16-7-10/h15H,2-7H2,1H3,(H,11,13)(H,12,14).
What are the key properties of 3-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
3-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide has a molecular weight of 230.26 g/mol, XLogP of -1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide is sourced from PubChem (CID 103849591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).