N-[(2-ethoxyphenyl)methyl]-N-methyl-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide

C22H26N2O3 — CID 97272526

IUPACN-[(2-ethoxyphenyl)methyl]-N-methyl-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
SMILESCCOc1ccccc1CN(C)C(=O)CN1C[C@@H](c2ccccc2)CC1=O
InChIInChI=1S/C22H26N2O3/c1-3-27-20-12-8-7-11-18(20)14-23(2)22(26)16-24-15-19(13-21(24)25)17-9-5-4-6-10-17/h4-12,19H,3,13-16H2,1-2H3/t19-/m0/s1
InChIKeyCXXKTXHLLOGBKV-IBGZPJMESA-N
MW366.46 g/mol
LogP3.06
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-N-methyl-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide

N-[(2-ethoxyphenyl)methyl]-N-methyl-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide (PubChem CID 97272526) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-N-methyl-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-N-methyl-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
PubChem CID97272526
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[(2-ethoxyphenyl)methyl]-N-methyl-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
SMILESCCOc1ccccc1CN(C)C(=O)CN1C[C@@H](c2ccccc2)CC1=O
InChIInChI=1S/C22H26N2O3/c1-3-27-20-12-8-7-11-18(20)14-23(2)22(26)16-24-15-19(13-21(24)25)17-9-5-4-6-10-17/h4-12,19H,3,13-16H2,1-2H3/t19-/m0/s1
InChIKeyCXXKTXHLLOGBKV-IBGZPJMESA-N
XLogP3.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 781884
N-methyl-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]acetamide
CID 97436407
2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide;hydrochloride
CID 170974229
N-(2-ethylphenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 4198758
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
N,N-bis(1,3-oxazol-4-ylmethyl)-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 97272771
2-(cyclopropylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 54873700
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 54873676
4-chloro-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one
CID 168687525
1-[(2-ethoxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708283
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55861144
(2-fluorophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate
CID 2943317

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-methyl-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-methyl-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide (CID 97272526) is N-[(2-ethoxyphenyl)methyl]-N-methyl-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-N-methyl-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-N-methyl-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide is CCOc1ccccc1CN(C)C(=O)CN1C[C@@H](c2ccccc2)CC1=O.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-N-methyl-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
The InChIKey is CXXKTXHLLOGBKV-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-27-20-12-8-7-11-18(20)14-23(2)22(26)16-24-15-19(13-21(24)25)17-9-5-4-6-10-17/h4-12,19H,3,13-16H2,1-2H3/t19-/m0/s1.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-N-methyl-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide has a molecular weight of 366.46 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-N-methyl-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 97272526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).