(2S)-N-[2-[(2-chlorophenyl)methoxy]ethyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide

C17H24ClNO4 — CID 94813622

IUPAC(2S)-N-[2-[(2-chlorophenyl)methoxy]ethyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
SMILESC[C@H](OC[C@H]1CCCO1)C(=O)NCCOCc1ccccc1Cl
InChIInChI=1S/C17H24ClNO4/c1-13(23-12-15-6-4-9-22-15)17(20)19-8-10-21-11-14-5-2-3-7-16(14)18/h2-3,5,7,13,15H,4,6,8-12H2,1H3,(H,19,20)/t13-,15+/m0/s1
InChIKeyWUPKFSQZWSPXLL-DZGCQCFKSA-N
MW341.84 g/mol
LogP2.56
Rot. Bonds9

About (2S)-N-[2-[(2-chlorophenyl)methoxy]ethyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide

(2S)-N-[2-[(2-chlorophenyl)methoxy]ethyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide (PubChem CID 94813622) has the molecular formula C17H24ClNO4 and a molecular weight of 341.84 g/mol. Its IUPAC name is (2S)-N-[2-[(2-chlorophenyl)methoxy]ethyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-[(2-chlorophenyl)methoxy]ethyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
PubChem CID94813622
Molecular FormulaC17H24ClNO4
Molecular Weight341.84 g/mol
Exact Mass341.14
IUPAC Name(2S)-N-[2-[(2-chlorophenyl)methoxy]ethyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
SMILESC[C@H](OC[C@H]1CCCO1)C(=O)NCCOCc1ccccc1Cl
InChIInChI=1S/C17H24ClNO4/c1-13(23-12-15-6-4-9-22-15)17(20)19-8-10-21-11-14-5-2-3-7-16(14)18/h2-3,5,7,13,15H,4,6,8-12H2,1H3,(H,19,20)/t13-,15+/m0/s1
InChIKeyWUPKFSQZWSPXLL-DZGCQCFKSA-N
XLogP2.56
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95150032
N-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 119548783
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(quinolin-2-ylamino)ethyl]propanamide
CID 95348639
N-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43182486
3-[2-(oxan-2-ylmethoxy)propanoylamino]-2-phenylpropanoic acid
CID 119254705
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823131
N-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 71884607
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823133
(2R)-N'-(2-nitrophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]propanehydrazide
CID 95281197
N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48861457
N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 49263668
2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide
CID 61251530

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(2-chlorophenyl)methoxy]ethyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide?
The IUPAC name of (2S)-N-[2-[(2-chlorophenyl)methoxy]ethyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide (CID 94813622) is (2S)-N-[2-[(2-chlorophenyl)methoxy]ethyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2S)-N-[2-[(2-chlorophenyl)methoxy]ethyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide?
The canonical SMILES for (2S)-N-[2-[(2-chlorophenyl)methoxy]ethyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide is C[C@H](OC[C@H]1CCCO1)C(=O)NCCOCc1ccccc1Cl.
What is the InChIKey of (2S)-N-[2-[(2-chlorophenyl)methoxy]ethyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide?
The InChIKey is WUPKFSQZWSPXLL-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H24ClNO4/c1-13(23-12-15-6-4-9-22-15)17(20)19-8-10-21-11-14-5-2-3-7-16(14)18/h2-3,5,7,13,15H,4,6,8-12H2,1H3,(H,19,20)/t13-,15+/m0/s1.
What are the key properties of (2S)-N-[2-[(2-chlorophenyl)methoxy]ethyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide?
(2S)-N-[2-[(2-chlorophenyl)methoxy]ethyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide has a molecular weight of 341.84 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[(2-chlorophenyl)methoxy]ethyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide is sourced from PubChem (CID 94813622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).