4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide

C17H22ClNO4 — CID 95322508

IUPAC4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide
SMILESO=C(NO[C@H]1CCCCO1)C1(c2ccccc2Cl)CCOCC1
InChIInChI=1S/C17H22ClNO4/c18-14-6-2-1-5-13(14)17(8-11-21-12-9-17)16(20)19-23-15-7-3-4-10-22-15/h1-2,5-6,15H,3-4,7-12H2,(H,19,20)/t15-/m0/s1
InChIKeyWELCEIGGTRHMDA-HNNXBMFYSA-N
MW339.82 g/mol
LogP2.96
Rot. Bonds4

About 4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide

4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide (PubChem CID 95322508) has the molecular formula C17H22ClNO4 and a molecular weight of 339.82 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide
PubChem CID95322508
Molecular FormulaC17H22ClNO4
Molecular Weight339.82 g/mol
Exact Mass339.12
IUPAC Name4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide
SMILESO=C(NO[C@H]1CCCCO1)C1(c2ccccc2Cl)CCOCC1
InChIInChI=1S/C17H22ClNO4/c18-14-6-2-1-5-13(14)17(8-11-21-12-9-17)16(20)19-23-15-7-3-4-10-22-15/h1-2,5-6,15H,3-4,7-12H2,(H,19,20)/t15-/m0/s1
InChIKeyWELCEIGGTRHMDA-HNNXBMFYSA-N
XLogP2.96
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenyl)oxane-4-carboxamide
CID 119615938
N-(2-amino-2-methylpropyl)-4-(2-chlorophenyl)oxane-4-carboxamide
CID 119628865
(2S)-2-[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]propanoic acid
CID 119238677
4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide
CID 119427380
4-[[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542025
4-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide
CID 120576461
4-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)oxane-4-carboxamide
CID 119462852
4-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide;hydrochloride
CID 120576460
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
4-(2-chlorophenyl)-2,2-dimethyl-N-(oxan-2-yloxy)butanamide
CID 150816823
(2S)-N-[(2S)-oxan-2-yl]oxy-6-oxaspiro[2.5]octane-2-carboxamide
CID 95972380
2-[2-[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242729

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide (CID 95322508) is 4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide is O=C(NO[C@H]1CCCCO1)C1(c2ccccc2Cl)CCOCC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide?
The InChIKey is WELCEIGGTRHMDA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22ClNO4/c18-14-6-2-1-5-13(14)17(8-11-21-12-9-17)16(20)19-23-15-7-3-4-10-22-15/h1-2,5-6,15H,3-4,7-12H2,(H,19,20)/t15-/m0/s1.
What are the key properties of 4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide?
4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide has a molecular weight of 339.82 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide is sourced from PubChem (CID 95322508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).