N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-oxolan-2-yl]acetamide

C16H23NO4 — CID 94484955

IUPACN-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-oxolan-2-yl]acetamide
SMILESCOc1ccc(OC)c(CCNC(=O)C[C@H]2CCCO2)c1
InChIInChI=1S/C16H23NO4/c1-19-13-5-6-15(20-2)12(10-13)7-8-17-16(18)11-14-4-3-9-21-14/h5-6,10,14H,3-4,7-9,11H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyXSKONRMRCXUGPN-CQSZACIVSA-N
MW293.36 g/mol
LogP1.93
Rot. Bonds7

About N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-oxolan-2-yl]acetamide

N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-oxolan-2-yl]acetamide (PubChem CID 94484955) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-oxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-oxolan-2-yl]acetamide
PubChem CID94484955
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-oxolan-2-yl]acetamide
SMILESCOc1ccc(OC)c(CCNC(=O)C[C@H]2CCCO2)c1
InChIInChI=1S/C16H23NO4/c1-19-13-5-6-15(20-2)12(10-13)7-8-17-16(18)11-14-4-3-9-21-14/h5-6,10,14H,3-4,7-9,11H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyXSKONRMRCXUGPN-CQSZACIVSA-N
XLogP1.93
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(oxan-2-yl)acetamide
CID 110609197
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94029080
2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 46418634
N-[4-(4-methoxyphenyl)butyl]-2-(oxan-2-yl)acetamide
CID 110628016
N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide
CID 110410171
1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47194992
N-(2-methoxyethyl)-2-(oxolan-2-yl)acetamide
CID 110696561
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705625
N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119705639
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137981
4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide
CID 120587964
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 110788043

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-oxolan-2-yl]acetamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-oxolan-2-yl]acetamide (CID 94484955) is N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-oxolan-2-yl]acetamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-oxolan-2-yl]acetamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-oxolan-2-yl]acetamide is COc1ccc(OC)c(CCNC(=O)C[C@H]2CCCO2)c1.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-oxolan-2-yl]acetamide?
The InChIKey is XSKONRMRCXUGPN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23NO4/c1-19-13-5-6-15(20-2)12(10-13)7-8-17-16(18)11-14-4-3-9-21-14/h5-6,10,14H,3-4,7-9,11H2,1-2H3,(H,17,18)/t14-/m1/s1.
What are the key properties of N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-oxolan-2-yl]acetamide?
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-oxolan-2-yl]acetamide has a molecular weight of 293.36 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-oxolan-2-yl]acetamide is sourced from PubChem (CID 94484955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).