3-hydroxy-N-[4-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide

C18H20N2O3 — CID 75502896

IUPAC3-hydroxy-N-[4-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
SMILESCc1cccc(Oc2ccc(NC(=O)N3CCC(O)C3)cc2)c1
InChIInChI=1S/C18H20N2O3/c1-13-3-2-4-17(11-13)23-16-7-5-14(6-8-16)19-18(22)20-10-9-15(21)12-20/h2-8,11,15,21H,9-10,12H2,1H3,(H,19,22)
InChIKeyLNZUSGWXSJWIHA-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.39
Rot. Bonds3

About 3-hydroxy-N-[4-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide

3-hydroxy-N-[4-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide (PubChem CID 75502896) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-hydroxy-N-[4-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[4-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
PubChem CID75502896
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-hydroxy-N-[4-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
SMILESCc1cccc(Oc2ccc(NC(=O)N3CCC(O)C3)cc2)c1
InChIInChI=1S/C18H20N2O3/c1-13-3-2-4-17(11-13)23-16-7-5-14(6-8-16)19-18(22)20-10-9-15(21)12-20/h2-8,11,15,21H,9-10,12H2,1H3,(H,19,22)
InChIKeyLNZUSGWXSJWIHA-UHFFFAOYSA-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

(3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 111473314
N-[4-(3-methylphenoxy)phenyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 51945143
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
(3R)-N-[4-(3-fluorophenoxy)phenyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 97351371
(3S)-3-hydroxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]pyrrolidine-1-carboxamide
CID 124567707
4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide
CID 4139874
N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266283
N-(4-methoxyphenyl)-4-[(3-methylbenzoyl)amino]piperidine-1-carboxamide
CID 43814085
(3R)-3-hydroxy-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pyrrolidine-1-carboxamide
CID 111431674
N-[4-(3-methoxyphenoxy)phenyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 136534290
(3R)-3-hydroxy-N-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide
CID 111431474

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[4-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[4-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide (CID 75502896) is 3-hydroxy-N-[4-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[4-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[4-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide is Cc1cccc(Oc2ccc(NC(=O)N3CCC(O)C3)cc2)c1.
What is the InChIKey of 3-hydroxy-N-[4-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is LNZUSGWXSJWIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-3-2-4-17(11-13)23-16-7-5-14(6-8-16)19-18(22)20-10-9-15(21)12-20/h2-8,11,15,21H,9-10,12H2,1H3,(H,19,22).
What are the key properties of 3-hydroxy-N-[4-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide?
3-hydroxy-N-[4-(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 3-hydroxy-N-[4-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 75502896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).