3-(oxazinan-2-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide

C19H28N2O4 — CID 91795731

IUPAC3-(oxazinan-2-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
SMILESO=C(CCN1CCCCO1)N[C@@H]1CCOC[C@H]1OCc1ccccc1
InChIInChI=1S/C19H28N2O4/c22-19(8-11-21-10-4-5-12-25-21)20-17-9-13-23-15-18(17)24-14-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H,20,22)/t17-,18-/m1/s1
InChIKeyYYNPAJSWOPYGTB-QZTJIDSGSA-N
MW348.44 g/mol
LogP1.89
Rot. Bonds7

About 3-(oxazinan-2-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide

3-(oxazinan-2-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide (PubChem CID 91795731) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 3-(oxazinan-2-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide.

Molecular Properties

Compound Name3-(oxazinan-2-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
PubChem CID91795731
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name3-(oxazinan-2-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
SMILESO=C(CCN1CCCCO1)N[C@@H]1CCOC[C@H]1OCc1ccccc1
InChIInChI=1S/C19H28N2O4/c22-19(8-11-21-10-4-5-12-25-21)20-17-9-13-23-15-18(17)24-14-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H,20,22)/t17-,18-/m1/s1
InChIKeyYYNPAJSWOPYGTB-QZTJIDSGSA-N
XLogP1.89
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-3-piperidin-1-ylpropanamide
CID 91766954
3-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91793611
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-piperidin-1-ylacetamide
CID 91786681
3-(oxazinan-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
CID 91787905
3-(1,2-oxazolidin-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
CID 91772511
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-4-pyrazolidin-4-ylbutanamide
CID 133268380
N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-3-(oxazinan-2-yl)propanamide
CID 133267645
4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide
CID 91785748
2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91760467
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide
CID 91771876
2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91782131
4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91795848

Frequently Asked Questions

What is the IUPAC name of 3-(oxazinan-2-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide?
The IUPAC name of 3-(oxazinan-2-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide (CID 91795731) is 3-(oxazinan-2-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide.
What is the SMILES notation for 3-(oxazinan-2-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide?
The canonical SMILES for 3-(oxazinan-2-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide is O=C(CCN1CCCCO1)N[C@@H]1CCOC[C@H]1OCc1ccccc1.
What is the InChIKey of 3-(oxazinan-2-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide?
The InChIKey is YYNPAJSWOPYGTB-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H28N2O4/c22-19(8-11-21-10-4-5-12-25-21)20-17-9-13-23-15-18(17)24-14-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H,20,22)/t17-,18-/m1/s1.
What are the key properties of 3-(oxazinan-2-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide?
3-(oxazinan-2-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide has a molecular weight of 348.44 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxazinan-2-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide is sourced from PubChem (CID 91795731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).