3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide

C15H22N2O3 — CID 134712034

IUPAC3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
SMILESCCOCCC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1
InChIInChI=1S/C15H22N2O3/c1-2-19-8-5-15(18)17-14-11-20-10-13(14)9-12-3-6-16-7-4-12/h3-4,6-7,13-14H,2,5,8-11H2,1H3,(H,17,18)/t13-,14-/m1/s1
InChIKeyITDBULRCDBMJAS-ZIAGYGMSSA-N
MW278.35 g/mol
LogP1.18
Rot. Bonds7

About 3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide

3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide (PubChem CID 134712034) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
PubChem CID134712034
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
SMILESCCOCCC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1
InChIInChI=1S/C15H22N2O3/c1-2-19-8-5-15(18)17-14-11-20-10-13(14)9-12-3-6-16-7-4-12/h3-4,6-7,13-14H,2,5,8-11H2,1H3,(H,17,18)/t13-,14-/m1/s1
InChIKeyITDBULRCDBMJAS-ZIAGYGMSSA-N
XLogP1.18
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide
CID 134697099
3-methylsulfonyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135100569
4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride
CID 154918726
2-(4-methoxyphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134697379
2-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134699637
4-phenyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide
CID 134712464
2-(2-methoxyphenoxy)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135094569
3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134705516
2-[2-methoxyethyl(methyl)amino]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135104422
2-(4-propan-2-ylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134709594
4-(4-fluorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide
CID 134712334
2-cyclopentyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135101855

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide?
The IUPAC name of 3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide (CID 134712034) is 3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide?
The canonical SMILES for 3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide is CCOCCC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1.
What is the InChIKey of 3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide?
The InChIKey is ITDBULRCDBMJAS-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-19-8-5-15(18)17-14-11-20-10-13(14)9-12-3-6-16-7-4-12/h3-4,6-7,13-14H,2,5,8-11H2,1H3,(H,17,18)/t13-,14-/m1/s1.
What are the key properties of 3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide?
3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide has a molecular weight of 278.35 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide is sourced from PubChem (CID 134712034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).