(2R)-N-[2-[[1-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide

C25H32ClN3O3 — CID 70592676

IUPAC(2R)-N-[2-[[1-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
SMILESCC(C)(CNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)NC(CO)c1ccccc1Cl
InChIInChI=1S/C25H32ClN3O3/c1-25(2,28-21(16-30)19-11-6-7-12-20(19)26)17-27-24(32)22-13-8-14-29(22)23(31)15-18-9-4-3-5-10-18/h3-7,9-12,21-22,28,30H,8,13-17H2,1-2H3,(H,27,32)/t21?,22-/m1/s1
InChIKeyAUJJIFNQBGAGBG-FOIFJWKZSA-N
MW458.00 g/mol
LogP3.09
Rot. Bonds9

About (2R)-N-[2-[[1-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide

(2R)-N-[2-[[1-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (PubChem CID 70592676) has the molecular formula C25H32ClN3O3 and a molecular weight of 458.00 g/mol. Its IUPAC name is (2R)-N-[2-[[1-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-[[1-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
PubChem CID70592676
Molecular FormulaC25H32ClN3O3
Molecular Weight458.00 g/mol
Exact Mass457.21
IUPAC Name(2R)-N-[2-[[1-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
SMILESCC(C)(CNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)NC(CO)c1ccccc1Cl
InChIInChI=1S/C25H32ClN3O3/c1-25(2,28-21(16-30)19-11-6-7-12-20(19)26)17-27-24(32)22-13-8-14-29(22)23(31)15-18-9-4-3-5-10-18/h3-7,9-12,21-22,28,30H,8,13-17H2,1-2H3,(H,27,32)/t21?,22-/m1/s1
InChIKeyAUJJIFNQBGAGBG-FOIFJWKZSA-N
XLogP3.09
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.00
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[2-[[1-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
(2S)-N-[(2R)-2-cyanopropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95765004
(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95190248
ethyl 3-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]propanoate
CID 10496803
N-[(3,4-dihydroxyphenyl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 136521380
(2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95216209
N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47923867
N-(1-cyclopropylpiperidin-4-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47881551
methyl 4-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]piperidine-1-carboxylate
CID 47897958
N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47717787
(2R)-N-[[(2S)-2-methyloxolan-2-yl]methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 96537614

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[[1-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-[[1-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (CID 70592676) is (2R)-N-[2-[[1-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-[[1-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-[[1-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide is CC(C)(CNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)NC(CO)c1ccccc1Cl.
What is the InChIKey of (2R)-N-[2-[[1-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The InChIKey is AUJJIFNQBGAGBG-FOIFJWKZSA-N. The full InChI is InChI=1S/C25H32ClN3O3/c1-25(2,28-21(16-30)19-11-6-7-12-20(19)26)17-27-24(32)22-13-8-14-29(22)23(31)15-18-9-4-3-5-10-18/h3-7,9-12,21-22,28,30H,8,13-17H2,1-2H3,(H,27,32)/t21?,22-/m1/s1.
What are the key properties of (2R)-N-[2-[[1-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
(2R)-N-[2-[[1-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide has a molecular weight of 458.00 g/mol, XLogP of 3.09, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[[1-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 70592676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).