2-methyl-2-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide

C18H27N3O3 — CID 134705556

IUPAC2-methyl-2-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
SMILESCC(C)(C(=O)N[C@@H]1COC[C@H]1Cc1ccncc1)N1CCOCC1
InChIInChI=1S/C18H27N3O3/c1-18(2,21-7-9-23-10-8-21)17(22)20-16-13-24-12-15(16)11-14-3-5-19-6-4-14/h3-6,15-16H,7-13H2,1-2H3,(H,20,22)/t15-,16-/m1/s1
InChIKeyIOZCLWUMDBSRDI-HZPDHXFCSA-N
MW333.43 g/mol
LogP0.87
Rot. Bonds5

About 2-methyl-2-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide

2-methyl-2-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide (PubChem CID 134705556) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
PubChem CID134705556
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-methyl-2-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
SMILESCC(C)(C(=O)N[C@@H]1COC[C@H]1Cc1ccncc1)N1CCOCC1
InChIInChI=1S/C18H27N3O3/c1-18(2,21-7-9-23-10-8-21)17(22)20-16-13-24-12-15(16)11-14-3-5-19-6-4-14/h3-6,15-16H,7-13H2,1-2H3,(H,20,22)/t15-,16-/m1/s1
InChIKeyIOZCLWUMDBSRDI-HZPDHXFCSA-N
XLogP0.87
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide with MolForge

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Related Compounds

2-methoxy-2-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135092017
N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-methyl-2-morpholin-4-ylpropanamide
CID 131916649
4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135106892
2-morpholin-4-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134705560
1-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 134713666
2-oxo-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-pyrrolidin-1-ylacetamide
CID 135094092
4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135096933
4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide
CID 134697099
4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 134712104
N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclopentanecarboxamide
CID 135107014
1-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 134709446
4-hydroxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 135111249

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide?
The IUPAC name of 2-methyl-2-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide (CID 134705556) is 2-methyl-2-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide.
What is the SMILES notation for 2-methyl-2-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide?
The canonical SMILES for 2-methyl-2-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide is CC(C)(C(=O)N[C@@H]1COC[C@H]1Cc1ccncc1)N1CCOCC1.
What is the InChIKey of 2-methyl-2-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide?
The InChIKey is IOZCLWUMDBSRDI-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-18(2,21-7-9-23-10-8-21)17(22)20-16-13-24-12-15(16)11-14-3-5-19-6-4-14/h3-6,15-16H,7-13H2,1-2H3,(H,20,22)/t15-,16-/m1/s1.
What are the key properties of 2-methyl-2-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide?
2-methyl-2-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide has a molecular weight of 333.43 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide is sourced from PubChem (CID 134705556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).