(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide

C17H25NO4 — CID 94823133

IUPAC(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccccc1NC(=O)[C@H](C)OC[C@H]1CCCO1
InChIInChI=1S/C17H25NO4/c1-12(2)22-16-9-5-4-8-15(16)18-17(19)13(3)21-11-14-7-6-10-20-14/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,18,19)/t13-,14+/m0/s1
InChIKeyPHAHUFNIFFZPJA-UONOGXRCSA-N
MW307.39 g/mol
LogP3.00
Rot. Bonds7

About (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide

(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 94823133) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID94823133
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccccc1NC(=O)[C@H](C)OC[C@H]1CCCO1
InChIInChI=1S/C17H25NO4/c1-12(2)22-16-9-5-4-8-15(16)18-17(19)13(3)21-11-14-7-6-10-20-14/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,18,19)/t13-,14+/m0/s1
InChIKeyPHAHUFNIFFZPJA-UONOGXRCSA-N
XLogP3.00
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823131
2-(oxan-2-yl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 110422651
2-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54815711
(2S)-2-(4-chlorophenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide
CID 41386334
(2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 97003852
(2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95281098
3-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109016102
2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54821459
N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48845435
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
(2S)-N-(1,2-dihydroacenaphthylen-5-yl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 52533675
1-N-(oxolan-2-ylmethyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108973334

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide (CID 94823133) is (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccccc1NC(=O)[C@H](C)OC[C@H]1CCCO1.
What is the InChIKey of (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is PHAHUFNIFFZPJA-UONOGXRCSA-N. The full InChI is InChI=1S/C17H25NO4/c1-12(2)22-16-9-5-4-8-15(16)18-17(19)13(3)21-11-14-7-6-10-20-14/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,18,19)/t13-,14+/m0/s1.
What are the key properties of (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide?
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 307.39 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 94823133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).