N-[(4-chloro-2-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide

C15H20ClNO4 — CID 95616406

IUPACN-[(4-chloro-2-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
SMILESCOc1cc(Cl)ccc1CNC(=O)COC[C@@H]1CCCO1
InChIInChI=1S/C15H20ClNO4/c1-19-14-7-12(16)5-4-11(14)8-17-15(18)10-20-9-13-3-2-6-21-13/h4-5,7,13H,2-3,6,8-10H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyNQILCYJEJYHCHA-ZDUSSCGKSA-N
MW313.78 g/mol
LogP2.16
Rot. Bonds7

About N-[(4-chloro-2-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide

N-[(4-chloro-2-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide (PubChem CID 95616406) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is N-[(4-chloro-2-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-[(4-chloro-2-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
PubChem CID95616406
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC NameN-[(4-chloro-2-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
SMILESCOc1cc(Cl)ccc1CNC(=O)COC[C@@H]1CCCO1
InChIInChI=1S/C15H20ClNO4/c1-19-14-7-12(16)5-4-11(14)8-17-15(18)10-20-9-13-3-2-6-21-13/h4-5,7,13H,2-3,6,8-10H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyNQILCYJEJYHCHA-ZDUSSCGKSA-N
XLogP2.16
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94029080
1-[(4-chloro-2-methoxyphenyl)methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111840274
N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide
CID 110410171
2-[(4-chloro-2-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)guanidine
CID 111109013
N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943622
2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 46418634
3-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
CID 119339663
2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 86868315
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 86868384
N-[(2,4-dichlorophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119674688
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 40556056

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide?
The IUPAC name of N-[(4-chloro-2-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide (CID 95616406) is N-[(4-chloro-2-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide.
What is the SMILES notation for N-[(4-chloro-2-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide?
The canonical SMILES for N-[(4-chloro-2-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide is COc1cc(Cl)ccc1CNC(=O)COC[C@@H]1CCCO1.
What is the InChIKey of N-[(4-chloro-2-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide?
The InChIKey is NQILCYJEJYHCHA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-19-14-7-12(16)5-4-11(14)8-17-15(18)10-20-9-13-3-2-6-21-13/h4-5,7,13H,2-3,6,8-10H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of N-[(4-chloro-2-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide?
N-[(4-chloro-2-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide has a molecular weight of 313.78 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide is sourced from PubChem (CID 95616406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).