N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide

C24H30N2O4 — CID 45286233

IUPACN-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide
SMILESCC(C)[C@H](NC(=O)COc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCC1
InChIInChI=1S/C24H30N2O4/c1-18(2)23(24(28)26-14-6-7-15-26)25-22(27)17-30-21-12-10-20(11-13-21)29-16-19-8-4-3-5-9-19/h3-5,8-13,18,23H,6-7,14-17H2,1-2H3,(H,25,27)/t23-/m0/s1
InChIKeyDFMDBNWWSMLXNN-QHCPKHFHSA-N
MW410.51 g/mol
LogP3.41
Rot. Bonds9

About N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide

N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide (PubChem CID 45286233) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide
PubChem CID45286233
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide
SMILESCC(C)[C@H](NC(=O)COc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCC1
InChIInChI=1S/C24H30N2O4/c1-18(2)23(24(28)26-14-6-7-15-26)25-22(27)17-30-21-12-10-20(11-13-21)29-16-19-8-4-3-5-9-19/h3-5,8-13,18,23H,6-7,14-17H2,1-2H3,(H,25,27)/t23-/m0/s1
InChIKeyDFMDBNWWSMLXNN-QHCPKHFHSA-N
XLogP3.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 9036546
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-phenoxyacetamide
CID 47101035
N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-3-phenoxypropanamide
CID 110349075
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenoxyacetamide
CID 110351364
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-2-phenoxyacetamide
CID 110347375
N-[(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenoxyacetamide
CID 9271077
1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-4-carboxylic acid
CID 119166665
1-[3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]-N-pentylpiperidine-4-carboxamide
CID 55718088
2-(4-methylphenoxy)-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 110286775
N-[(2S)-3-methyl-1-[4-(2-nitrophenyl)piperazin-1-yl]-1-oxobutan-2-yl]-2-phenoxyacetamide
CID 29220848
1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-3-carboxylic acid
CID 119167769
3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoic acid
CID 3630383

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide?
The IUPAC name of N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide (CID 45286233) is N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide?
The canonical SMILES for N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide is CC(C)[C@H](NC(=O)COc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCC1.
What is the InChIKey of N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide?
The InChIKey is DFMDBNWWSMLXNN-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-18(2)23(24(28)26-14-6-7-15-26)25-22(27)17-30-21-12-10-20(11-13-21)29-16-19-8-4-3-5-9-19/h3-5,8-13,18,23H,6-7,14-17H2,1-2H3,(H,25,27)/t23-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide?
N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide has a molecular weight of 410.51 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide is sourced from PubChem (CID 45286233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).