(2S)-N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide

C25H29N3O2 — CID 11935248

IUPAC(2S)-N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCC[C@@H]1c1cccn1C
InChIInChI=1S/C25H29N3O2/c1-18-13-14-23(30-3)20(17-18)26-25(29)24(19-9-5-4-6-10-19)28-16-8-12-22(28)21-11-7-15-27(21)2/h4-7,9-11,13-15,17,22,24H,8,12,16H2,1-3H3,(H,26,29)/t22-,24+/m1/s1
InChIKeyWESZFEPIDFFJTJ-VWNXMTODSA-N
MW403.53 g/mol
LogP4.86
Rot. Bonds6

About (2S)-N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide

(2S)-N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide (PubChem CID 11935248) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is (2S)-N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide
PubChem CID11935248
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name(2S)-N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCC[C@@H]1c1cccn1C
InChIInChI=1S/C25H29N3O2/c1-18-13-14-23(30-3)20(17-18)26-25(29)24(19-9-5-4-6-10-19)28-16-8-12-22(28)21-11-7-15-27(21)2/h4-7,9-11,13-15,17,22,24H,8,12,16H2,1-3H3,(H,26,29)/t22-,24+/m1/s1
InChIKeyWESZFEPIDFFJTJ-VWNXMTODSA-N
XLogP4.86
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-phenylacetamide
CID 3636513
(2S)-N-carbamoyl-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide
CID 8975060
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 111332556
(2S)-N-(2-methoxy-5-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 8726424
(3S,4S)-1-[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120685
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 16554558
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 55499047
(2S)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 30723507
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 55505861
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate
CID 7722308
(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 11933910

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide?
The IUPAC name of (2S)-N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide (CID 11935248) is (2S)-N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide is COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCC[C@@H]1c1cccn1C.
What is the InChIKey of (2S)-N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide?
The InChIKey is WESZFEPIDFFJTJ-VWNXMTODSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-18-13-14-23(30-3)20(17-18)26-25(29)24(19-9-5-4-6-10-19)28-16-8-12-22(28)21-11-7-15-27(21)2/h4-7,9-11,13-15,17,22,24H,8,12,16H2,1-3H3,(H,26,29)/t22-,24+/m1/s1.
What are the key properties of (2S)-N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide?
(2S)-N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide has a molecular weight of 403.53 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 11935248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).