N-[4-(4-methylphenoxy)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide

C25H25N3O3 — CID 9361165

IUPACN-[4-(4-methylphenoxy)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
SMILESCc1ccc(Oc2ccc(NC(=O)CNc3ccccc3N3CCCC3=O)cc2)cc1
InChIInChI=1S/C25H25N3O3/c1-18-8-12-20(13-9-18)31-21-14-10-19(11-15-21)27-24(29)17-26-22-5-2-3-6-23(22)28-16-4-7-25(28)30/h2-3,5-6,8-15,26H,4,7,16-17H2,1H3,(H,27,29)
InChIKeyHKHQUVIRHHPUQA-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.96
Rot. Bonds7

About N-[4-(4-methylphenoxy)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide

N-[4-(4-methylphenoxy)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide (PubChem CID 9361165) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[4-(4-methylphenoxy)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-[4-(4-methylphenoxy)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
PubChem CID9361165
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[4-(4-methylphenoxy)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
SMILESCc1ccc(Oc2ccc(NC(=O)CNc3ccccc3N3CCCC3=O)cc2)cc1
InChIInChI=1S/C25H25N3O3/c1-18-8-12-20(13-9-18)31-21-14-10-19(11-15-21)27-24(29)17-26-22-5-2-3-6-23(22)28-16-4-7-25(28)30/h2-3,5-6,8-15,26H,4,7,16-17H2,1H3,(H,27,29)
InChIKeyHKHQUVIRHHPUQA-UHFFFAOYSA-N
XLogP4.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Sembragiline
CID 10246762
N-[4-(benzyloxy)phenyl]glycinamide
CID 22690393
1-Benzyl-3-(4-methoxyphenylamino)-4-phenylpyrrole-2,5-dione
CID 5288679
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-ethoxyphenyl)-
CID 654114
N-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-2-oxo-1-imidazolyl]acetamide
CID 9551446
(2S)-2-amino-N-[4-(benzyloxy)phenyl]propanamide
CID 22690542
(2S)-2-amino-N'-(4-phenylmethoxyphenyl)pentanediamide
CID 24901607
(2S)-2-amino-N-[4-(3-methylphenoxy)phenyl]pentanediamide
CID 24901626
(2S)-2-amino-N-[4-(4-methylphenoxy)phenyl]pentanediamide
CID 24901627
N-[4-(benzyloxy)phenyl]-4-(dimethylamino)butanamide
CID 24901610
2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide
CID 46902957

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenoxy)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide?
The IUPAC name of N-[4-(4-methylphenoxy)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide (CID 9361165) is N-[4-(4-methylphenoxy)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide.
What is the SMILES notation for N-[4-(4-methylphenoxy)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide?
The canonical SMILES for N-[4-(4-methylphenoxy)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide is Cc1ccc(Oc2ccc(NC(=O)CNc3ccccc3N3CCCC3=O)cc2)cc1.
What is the InChIKey of N-[4-(4-methylphenoxy)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide?
The InChIKey is HKHQUVIRHHPUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-18-8-12-20(13-9-18)31-21-14-10-19(11-15-21)27-24(29)17-26-22-5-2-3-6-23(22)28-16-4-7-25(28)30/h2-3,5-6,8-15,26H,4,7,16-17H2,1H3,(H,27,29).
What are the key properties of N-[4-(4-methylphenoxy)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide?
N-[4-(4-methylphenoxy)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide has a molecular weight of 415.49 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenoxy)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide is sourced from PubChem (CID 9361165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).