N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

C22H26N2O4 — CID 27446204

IUPACN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)COc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H26N2O4/c1-15-6-11-20(27-3)19(13-15)16(2)23-21(25)14-28-18-9-7-17(8-10-18)24-12-4-5-22(24)26/h6-11,13,16H,4-5,12,14H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyMNZOEJHXXUGECD-MRXNPFEDSA-N
MW382.46 g/mol
LogP3.39
Rot. Bonds7

About N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (PubChem CID 27446204) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
PubChem CID27446204
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)COc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H26N2O4/c1-15-6-11-20(27-3)19(13-15)16(2)23-21(25)14-28-18-9-7-17(8-10-18)24-12-4-5-22(24)26/h6-11,13,16H,4-5,12,14H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyMNZOEJHXXUGECD-MRXNPFEDSA-N
XLogP3.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51220443
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 51212376
[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate
CID 46666498
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 94015362
N-(3-methylbutan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 51228621
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9262533
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26371784
2-(4-benzoylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9048431
N-(3,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685964
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 9262553
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 26752989

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The IUPAC name of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (CID 27446204) is N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is COc1ccc(C)cc1[C@@H](C)NC(=O)COc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The InChIKey is MNZOEJHXXUGECD-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15-6-11-20(27-3)19(13-15)16(2)23-21(25)14-28-18-9-7-17(8-10-18)24-12-4-5-22(24)26/h6-11,13,16H,4-5,12,14H2,1-3H3,(H,23,25)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide has a molecular weight of 382.46 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is sourced from PubChem (CID 27446204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).