(3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide

C18H20N2O3 — CID 111473314

IUPAC(3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
SMILESCc1cccc(Oc2ccccc2NC(=O)N2CC[C@H](O)C2)c1
InChIInChI=1S/C18H20N2O3/c1-13-5-4-6-15(11-13)23-17-8-3-2-7-16(17)19-18(22)20-10-9-14(21)12-20/h2-8,11,14,21H,9-10,12H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyFILDKHVKJKTETM-AWEZNQCLSA-N
MW312.37 g/mol
LogP3.39
Rot. Bonds3

About (3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide

(3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide (PubChem CID 111473314) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
PubChem CID111473314
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
SMILESCc1cccc(Oc2ccccc2NC(=O)N2CC[C@H](O)C2)c1
InChIInChI=1S/C18H20N2O3/c1-13-5-4-6-15(11-13)23-17-8-3-2-7-16(17)19-18(22)20-10-9-14(21)12-20/h2-8,11,14,21H,9-10,12H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyFILDKHVKJKTETM-AWEZNQCLSA-N
XLogP3.39
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide
CID 112824865
3-hydroxy-N-[4-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 75502896
N-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 75520270
(3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
CID 111431556
1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide
CID 60541262
N-[2-(3-methylphenoxy)phenyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide
CID 112824843
(3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 142326301
1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 56684470
(3R)-1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 52663493
N-[2-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266446
N-(2-fluoro-6-phenoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 75502909
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide (CID 111473314) is (3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide is Cc1cccc(Oc2ccccc2NC(=O)N2CC[C@H](O)C2)c1.
What is the InChIKey of (3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is FILDKHVKJKTETM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-5-4-6-15(11-13)23-17-8-3-2-7-16(17)19-18(22)20-10-9-14(21)12-20/h2-8,11,14,21H,9-10,12H2,1H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide?
(3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111473314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).