(2S)-2-(4-chlorophenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide

C20H22ClNO4 — CID 41386334

IUPAC(2S)-2-(4-chlorophenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1OC[C@H]1CCCO1
InChIInChI=1S/C20H22ClNO4/c1-14(26-16-10-8-15(21)9-11-16)20(23)22-18-6-2-3-7-19(18)25-13-17-5-4-12-24-17/h2-3,6-11,14,17H,4-5,12-13H2,1H3,(H,22,23)/t14-,17+/m0/s1
InChIKeySVBUUIVLUXYFAL-WMLDXEAASA-N
MW375.85 g/mol
LogP4.30
Rot. Bonds7

About (2S)-2-(4-chlorophenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide

(2S)-2-(4-chlorophenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide (PubChem CID 41386334) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide
PubChem CID41386334
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1OC[C@H]1CCCO1
InChIInChI=1S/C20H22ClNO4/c1-14(26-16-10-8-15(21)9-11-16)20(23)22-18-6-2-3-7-19(18)25-13-17-5-4-12-24-17/h2-3,6-11,14,17H,4-5,12-13H2,1H3,(H,22,23)/t14-,17+/m0/s1
InChIKeySVBUUIVLUXYFAL-WMLDXEAASA-N
XLogP4.30
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(4-chlorophenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide with MolForge

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Related Compounds

4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
(2R)-2-(2-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide
CID 9295727
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823131
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823133
N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 17170147
N-(2-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
CID 17087061
N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17222367
2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 30753760
2-(4-methoxyphenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41386279
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 33493778
1-(5-methylhexan-2-yl)-3-[2-(oxan-2-ylmethoxy)phenyl]urea
CID 60577047

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide (CID 41386334) is (2S)-2-(4-chlorophenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide is C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1OC[C@H]1CCCO1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide?
The InChIKey is SVBUUIVLUXYFAL-WMLDXEAASA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-14(26-16-10-8-15(21)9-11-16)20(23)22-18-6-2-3-7-19(18)25-13-17-5-4-12-24-17/h2-3,6-11,14,17H,4-5,12-13H2,1H3,(H,22,23)/t14-,17+/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide?
(2S)-2-(4-chlorophenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide has a molecular weight of 375.85 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide is sourced from PubChem (CID 41386334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).