N-(3-methoxyphenyl)-2-[4-[(2-oxopyrrolidin-1-yl)methyl]anilino]-2-phenylacetamide

C26H27N3O3 — CID 87033167

IUPACN-(3-methoxyphenyl)-2-[4-[(2-oxopyrrolidin-1-yl)methyl]anilino]-2-phenylacetamide
SMILESCOc1cccc(NC(=O)C(Nc2ccc(CN3CCCC3=O)cc2)c2ccccc2)c1
InChIInChI=1S/C26H27N3O3/c1-32-23-10-5-9-22(17-23)28-26(31)25(20-7-3-2-4-8-20)27-21-14-12-19(13-15-21)18-29-16-6-11-24(29)30/h2-5,7-10,12-15,17,25,27H,6,11,16,18H2,1H3,(H,28,31)
InChIKeyMAPAPTZGTBKGMF-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.61
Rot. Bonds8

About N-(3-methoxyphenyl)-2-[4-[(2-oxopyrrolidin-1-yl)methyl]anilino]-2-phenylacetamide

N-(3-methoxyphenyl)-2-[4-[(2-oxopyrrolidin-1-yl)methyl]anilino]-2-phenylacetamide (PubChem CID 87033167) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[4-[(2-oxopyrrolidin-1-yl)methyl]anilino]-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[4-[(2-oxopyrrolidin-1-yl)methyl]anilino]-2-phenylacetamide
PubChem CID87033167
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-(3-methoxyphenyl)-2-[4-[(2-oxopyrrolidin-1-yl)methyl]anilino]-2-phenylacetamide
SMILESCOc1cccc(NC(=O)C(Nc2ccc(CN3CCCC3=O)cc2)c2ccccc2)c1
InChIInChI=1S/C26H27N3O3/c1-32-23-10-5-9-22(17-23)28-26(31)25(20-7-3-2-4-8-20)27-21-14-12-19(13-15-21)18-29-16-6-11-24(29)30/h2-5,7-10,12-15,17,25,27H,6,11,16,18H2,1H3,(H,28,31)
InChIKeyMAPAPTZGTBKGMF-UHFFFAOYSA-N
XLogP4.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-methoxyphenyl)-2-phenyl-2-(4-piperidin-1-ylanilino)acetamide
CID 25362284
(2R)-2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 31420058
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide
CID 46600220
2-hydroxy-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenylacetamide
CID 111536754
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 60614426
2-[3-(aminomethyl)anilino]-N-[4-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
CID 69337781
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-propan-2-ylphenyl)benzamide
CID 8732907
1-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 46070693
2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 4879709
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305
N-(3-methoxyphenyl)-2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-phenylacetamide
CID 4796277
3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide
CID 94198349

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[4-[(2-oxopyrrolidin-1-yl)methyl]anilino]-2-phenylacetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[4-[(2-oxopyrrolidin-1-yl)methyl]anilino]-2-phenylacetamide (CID 87033167) is N-(3-methoxyphenyl)-2-[4-[(2-oxopyrrolidin-1-yl)methyl]anilino]-2-phenylacetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[4-[(2-oxopyrrolidin-1-yl)methyl]anilino]-2-phenylacetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[4-[(2-oxopyrrolidin-1-yl)methyl]anilino]-2-phenylacetamide is COc1cccc(NC(=O)C(Nc2ccc(CN3CCCC3=O)cc2)c2ccccc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[4-[(2-oxopyrrolidin-1-yl)methyl]anilino]-2-phenylacetamide?
The InChIKey is MAPAPTZGTBKGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-32-23-10-5-9-22(17-23)28-26(31)25(20-7-3-2-4-8-20)27-21-14-12-19(13-15-21)18-29-16-6-11-24(29)30/h2-5,7-10,12-15,17,25,27H,6,11,16,18H2,1H3,(H,28,31).
What are the key properties of N-(3-methoxyphenyl)-2-[4-[(2-oxopyrrolidin-1-yl)methyl]anilino]-2-phenylacetamide?
N-(3-methoxyphenyl)-2-[4-[(2-oxopyrrolidin-1-yl)methyl]anilino]-2-phenylacetamide has a molecular weight of 429.52 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[4-[(2-oxopyrrolidin-1-yl)methyl]anilino]-2-phenylacetamide is sourced from PubChem (CID 87033167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).