(2S)-N-(2-hydroxy-2,2-diphenylacetyl)-1-phenacylpyrrolidine-2-carboxamide

C27H26N2O4 — CID 139629640

IUPAC(2S)-N-(2-hydroxy-2,2-diphenylacetyl)-1-phenacylpyrrolidine-2-carboxamide
SMILESO=C(CN1CCC[C@H]1C(=O)NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26N2O4/c30-24(20-11-4-1-5-12-20)19-29-18-10-17-23(29)25(31)28-26(32)27(33,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23,33H,10,17-19H2,(H,28,31,32)/t23-/m0/s1
InChIKeyVRKWRBDDCDOZSK-QHCPKHFHSA-N
MW442.51 g/mol
LogP2.91
Rot. Bonds7

About (2S)-N-(2-hydroxy-2,2-diphenylacetyl)-1-phenacylpyrrolidine-2-carboxamide

(2S)-N-(2-hydroxy-2,2-diphenylacetyl)-1-phenacylpyrrolidine-2-carboxamide (PubChem CID 139629640) has the molecular formula C27H26N2O4 and a molecular weight of 442.51 g/mol. Its IUPAC name is (2S)-N-(2-hydroxy-2,2-diphenylacetyl)-1-phenacylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-hydroxy-2,2-diphenylacetyl)-1-phenacylpyrrolidine-2-carboxamide
PubChem CID139629640
Molecular FormulaC27H26N2O4
Molecular Weight442.51 g/mol
Exact Mass442.19
IUPAC Name(2S)-N-(2-hydroxy-2,2-diphenylacetyl)-1-phenacylpyrrolidine-2-carboxamide
SMILESO=C(CN1CCC[C@H]1C(=O)NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26N2O4/c30-24(20-11-4-1-5-12-20)19-29-18-10-17-23(29)25(31)28-26(32)27(33,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23,33H,10,17-19H2,(H,28,31,32)/t23-/m0/s1
InChIKeyVRKWRBDDCDOZSK-QHCPKHFHSA-N
XLogP2.91
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2-hydroxy-2,2-diphenylacetyl)-1-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 139629637
(2R)-N-benzoyl-1-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 67620122
(2S)-N-benzoyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 22878906
1-phenyl-2-[(2S)-2-[(1R)-1-phenyl-1-sulfanylethyl]pyrrolidin-1-yl]ethanone
CID 163300865
1-phenacylpiperidine-2-carboxamide
CID 60681003
(2S)-1-phenacylpyrrolidine-2-carboximidamide
CID 58516261
(2S)-1-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-N-[(2R)-2-hydroxy-2-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 70070113
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-phenylethanone
CID 65319775
(2S)-N-benzyl-1-[2-oxo-2-(3-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 67619591
(2S)-N-benzyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 67621202
(2S)-N-benzoyl-1-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 22878879
1-[2-(4-methylphenyl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 16770156

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-hydroxy-2,2-diphenylacetyl)-1-phenacylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-hydroxy-2,2-diphenylacetyl)-1-phenacylpyrrolidine-2-carboxamide (CID 139629640) is (2S)-N-(2-hydroxy-2,2-diphenylacetyl)-1-phenacylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-hydroxy-2,2-diphenylacetyl)-1-phenacylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-hydroxy-2,2-diphenylacetyl)-1-phenacylpyrrolidine-2-carboxamide is O=C(CN1CCC[C@H]1C(=O)NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N-(2-hydroxy-2,2-diphenylacetyl)-1-phenacylpyrrolidine-2-carboxamide?
The InChIKey is VRKWRBDDCDOZSK-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H26N2O4/c30-24(20-11-4-1-5-12-20)19-29-18-10-17-23(29)25(31)28-26(32)27(33,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23,33H,10,17-19H2,(H,28,31,32)/t23-/m0/s1.
What are the key properties of (2S)-N-(2-hydroxy-2,2-diphenylacetyl)-1-phenacylpyrrolidine-2-carboxamide?
(2S)-N-(2-hydroxy-2,2-diphenylacetyl)-1-phenacylpyrrolidine-2-carboxamide has a molecular weight of 442.51 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-hydroxy-2,2-diphenylacetyl)-1-phenacylpyrrolidine-2-carboxamide is sourced from PubChem (CID 139629640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).