(2S,4R)-1-(cyclopentylmethyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]-N-methylpyrrolidine-2-carboxamide

C20H28FN3O3 — CID 72870377

IUPAC(2S,4R)-1-(cyclopentylmethyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](NC(=O)COc2ccc(F)cc2)CN1CC1CCCC1
InChIInChI=1S/C20H28FN3O3/c1-22-20(26)18-10-16(12-24(18)11-14-4-2-3-5-14)23-19(25)13-27-17-8-6-15(21)7-9-17/h6-9,14,16,18H,2-5,10-13H2,1H3,(H,22,26)(H,23,25)/t16-,18+/m1/s1
InChIKeyRTUJRKOLIYLKBY-AEFFLSMTSA-N
MW377.46 g/mol
LogP1.70
Rot. Bonds7

About (2S,4R)-1-(cyclopentylmethyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]-N-methylpyrrolidine-2-carboxamide

(2S,4R)-1-(cyclopentylmethyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]-N-methylpyrrolidine-2-carboxamide (PubChem CID 72870377) has the molecular formula C20H28FN3O3 and a molecular weight of 377.46 g/mol. Its IUPAC name is (2S,4R)-1-(cyclopentylmethyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-(cyclopentylmethyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]-N-methylpyrrolidine-2-carboxamide
PubChem CID72870377
Molecular FormulaC20H28FN3O3
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC Name(2S,4R)-1-(cyclopentylmethyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](NC(=O)COc2ccc(F)cc2)CN1CC1CCCC1
InChIInChI=1S/C20H28FN3O3/c1-22-20(26)18-10-16(12-24(18)11-14-4-2-3-5-14)23-19(25)13-27-17-8-6-15(21)7-9-17/h6-9,14,16,18H,2-5,10-13H2,1H3,(H,22,26)(H,23,25)/t16-,18+/m1/s1
InChIKeyRTUJRKOLIYLKBY-AEFFLSMTSA-N
XLogP1.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791687
N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide
CID 110823029
N-cycloheptyl-2-[4-(methylamino)phenoxy]acetamide
CID 61027576
N-cyclohexyl-5-(4-fluorophenoxy)-4-oxopentanamide
CID 159106921
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide
CID 110736947
N-(1-acetylpiperidin-4-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 55553899
N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-2-(4-fluorophenoxy)acetamide
CID 96559160
N-cyclohexyl-2-(3,4-difluorophenoxy)acetamide
CID 78767908
2-(4-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 97039908
2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108556268
N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenoxy)acetamide
CID 90498778

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(cyclopentylmethyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-(cyclopentylmethyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]-N-methylpyrrolidine-2-carboxamide (CID 72870377) is (2S,4R)-1-(cyclopentylmethyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-(cyclopentylmethyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-(cyclopentylmethyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](NC(=O)COc2ccc(F)cc2)CN1CC1CCCC1.
What is the InChIKey of (2S,4R)-1-(cyclopentylmethyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is RTUJRKOLIYLKBY-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H28FN3O3/c1-22-20(26)18-10-16(12-24(18)11-14-4-2-3-5-14)23-19(25)13-27-17-8-6-15(21)7-9-17/h6-9,14,16,18H,2-5,10-13H2,1H3,(H,22,26)(H,23,25)/t16-,18+/m1/s1.
What are the key properties of (2S,4R)-1-(cyclopentylmethyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]-N-methylpyrrolidine-2-carboxamide?
(2S,4R)-1-(cyclopentylmethyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 377.46 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(cyclopentylmethyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 72870377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).