(3S)-N-(2-phenylethyl)-3-phenylmethoxypyrrolidine-1-carboxamide

C20H24N2O2 — CID 164638945

IUPAC(3S)-N-(2-phenylethyl)-3-phenylmethoxypyrrolidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CC[C@H](OCc2ccccc2)C1
InChIInChI=1S/C20H24N2O2/c23-20(21-13-11-17-7-3-1-4-8-17)22-14-12-19(15-22)24-16-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,21,23)/t19-/m0/s1
InChIKeyMVUNZHLHSKKSCC-IBGZPJMESA-N
MW324.42 g/mol
LogP3.23
Rot. Bonds6

About (3S)-N-(2-phenylethyl)-3-phenylmethoxypyrrolidine-1-carboxamide

(3S)-N-(2-phenylethyl)-3-phenylmethoxypyrrolidine-1-carboxamide (PubChem CID 164638945) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (3S)-N-(2-phenylethyl)-3-phenylmethoxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-phenylethyl)-3-phenylmethoxypyrrolidine-1-carboxamide
PubChem CID164638945
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(3S)-N-(2-phenylethyl)-3-phenylmethoxypyrrolidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CC[C@H](OCc2ccccc2)C1
InChIInChI=1S/C20H24N2O2/c23-20(21-13-11-17-7-3-1-4-8-17)22-14-12-19(15-22)24-16-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,21,23)/t19-/m0/s1
InChIKeyMVUNZHLHSKKSCC-IBGZPJMESA-N
XLogP3.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-1-ethyl-4-(4-fluorophenyl)imidazolidin-2-one
CID 44408107
(3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)-N-methylpyrrolidine-1-carboxamide
CID 44444658
(3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)-N,N-dimethylpyrrolidine-1-carboxamide
CID 44444659
((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-phenylpyrrolidin-1-yl)(morpholino)methanone
CID 44444660
(3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-N-ethyl-4-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 44444664
(3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)-N-isopropylpyrrolidine-1-carboxamide
CID 44444666
(3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-N-tert-butyl-4-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 44444669
Profexalone
CID 65786
N*1*-(2-Benzhydryloxy-ethyl)-butane-1,4-diamine
CID 10780443
(R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-1-ethyl-4-phenylimidazolidin-2-one
CID 44407939
(R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-1-isopropyl-4-phenylimidazolidin-2-one
CID 44408100
(S)-1-(2-(benzyloxy)ethyl)-1-isopropyl-3-(1-oxo-3-phenylpropan-2-yl)urea
CID 44410025

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-phenylethyl)-3-phenylmethoxypyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(2-phenylethyl)-3-phenylmethoxypyrrolidine-1-carboxamide (CID 164638945) is (3S)-N-(2-phenylethyl)-3-phenylmethoxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2-phenylethyl)-3-phenylmethoxypyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2-phenylethyl)-3-phenylmethoxypyrrolidine-1-carboxamide is O=C(NCCc1ccccc1)N1CC[C@H](OCc2ccccc2)C1.
What is the InChIKey of (3S)-N-(2-phenylethyl)-3-phenylmethoxypyrrolidine-1-carboxamide?
The InChIKey is MVUNZHLHSKKSCC-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O2/c23-20(21-13-11-17-7-3-1-4-8-17)22-14-12-19(15-22)24-16-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,21,23)/t19-/m0/s1.
What are the key properties of (3S)-N-(2-phenylethyl)-3-phenylmethoxypyrrolidine-1-carboxamide?
(3S)-N-(2-phenylethyl)-3-phenylmethoxypyrrolidine-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-phenylethyl)-3-phenylmethoxypyrrolidine-1-carboxamide is sourced from PubChem (CID 164638945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).