(2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide

C18H20N2O2 — CID 51861391

IUPAC(2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1O)[C@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C18H20N2O2/c21-17-11-5-4-9-15(17)19-18(22)16-10-6-12-20(16)13-14-7-2-1-3-8-14/h1-5,7-9,11,16,21H,6,10,12-13H2,(H,19,22)/t16-/m1/s1
InChIKeyWAECOEPXMDOKRQ-MRXNPFEDSA-N
MW296.37 g/mol
LogP3.00
Rot. Bonds4

About (2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide

(2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 51861391) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
PubChem CID51861391
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1O)[C@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C18H20N2O2/c21-17-11-5-4-9-15(17)19-18(22)16-10-6-12-20(16)13-14-7-2-1-3-8-14/h1-5,7-9,11,16,21H,6,10,12-13H2,(H,19,22)/t16-/m1/s1
InChIKeyWAECOEPXMDOKRQ-MRXNPFEDSA-N
XLogP3.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 138108901
(2R)-1-benzyl-N-(4-hydroxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 129392844
N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47923867
(2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95216209
2-[[2-[2-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]phenyl]phenyl]methylideneamino]acetic acid
CID 150505610
1-benzyl-N-[2-(N-ethyl-C-phenylcarbonimidoyl)phenyl]pyrrolidine-2-carboxamide
CID 89270517
3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 97337283
1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide
CID 60563080
1-(1-benzylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 70799307
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
CID 47390330
1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide
CID 60563181

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide (CID 51861391) is (2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccccc1O)[C@H]1CCCN1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is WAECOEPXMDOKRQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-17-11-5-4-9-15(17)19-18(22)16-10-6-12-20(16)13-14-7-2-1-3-8-14/h1-5,7-9,11,16,21H,6,10,12-13H2,(H,19,22)/t16-/m1/s1.
What are the key properties of (2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide?
(2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51861391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).