(2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-(3-phenyl-2-pyridinyl)propanamide

C20H24N2O3 — CID 124615556

IUPAC(2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-(3-phenyl-2-pyridinyl)propanamide
SMILESC[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ncccc1-c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-15(25-14-17-10-5-6-13-24-17)20(23)22-19-18(11-7-12-21-19)16-8-3-2-4-9-16/h2-4,7-9,11-12,15,17H,5-6,10,13-14H2,1H3,(H,21,22,23)/t15-,17+/m0/s1
InChIKeyQZMXOGWEQUHKIZ-DOTOQJQBSA-N
MW340.42 g/mol
LogP3.66
Rot. Bonds6

About (2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-(3-phenyl-2-pyridinyl)propanamide

(2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-(3-phenyl-2-pyridinyl)propanamide (PubChem CID 124615556) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-(3-phenyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-(3-phenyl-2-pyridinyl)propanamide
PubChem CID124615556
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-(3-phenyl-2-pyridinyl)propanamide
SMILESC[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ncccc1-c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-15(25-14-17-10-5-6-13-24-17)20(23)22-19-18(11-7-12-21-19)16-8-3-2-4-9-16/h2-4,7-9,11-12,15,17H,5-6,10,13-14H2,1H3,(H,21,22,23)/t15-,17+/m0/s1
InChIKeyQZMXOGWEQUHKIZ-DOTOQJQBSA-N
XLogP3.66
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(2S)-oxan-2-yl]methoxy]-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 95273188
(2S)-N-(1-benzylimidazol-2-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 94820641
2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(3-phenyl-2-pyridinyl)acetamide
CID 124615544
3-[2-(oxan-2-ylmethoxy)propanoylamino]benzoic acid
CID 119219567
(2R)-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 94391895
(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95272601
methyl (2S)-2-[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]-3-phenylpropanoate
CID 95156285
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide
CID 100842096
3-[2-(oxan-2-ylmethoxy)propanoylamino]-2-phenylpropanoic acid
CID 119254705
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
(2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 97003852
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823131

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-(3-phenyl-2-pyridinyl)propanamide?
The IUPAC name of (2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-(3-phenyl-2-pyridinyl)propanamide (CID 124615556) is (2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-(3-phenyl-2-pyridinyl)propanamide.
What is the SMILES notation for (2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-(3-phenyl-2-pyridinyl)propanamide?
The canonical SMILES for (2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-(3-phenyl-2-pyridinyl)propanamide is C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ncccc1-c1ccccc1.
What is the InChIKey of (2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-(3-phenyl-2-pyridinyl)propanamide?
The InChIKey is QZMXOGWEQUHKIZ-DOTOQJQBSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(25-14-17-10-5-6-13-24-17)20(23)22-19-18(11-7-12-21-19)16-8-3-2-4-9-16/h2-4,7-9,11-12,15,17H,5-6,10,13-14H2,1H3,(H,21,22,23)/t15-,17+/m0/s1.
What are the key properties of (2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-(3-phenyl-2-pyridinyl)propanamide?
(2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-(3-phenyl-2-pyridinyl)propanamide has a molecular weight of 340.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-(3-phenyl-2-pyridinyl)propanamide is sourced from PubChem (CID 124615556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).