(3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide

C18H20N2O3 — CID 124687466

IUPAC(3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(Oc2ccc(NC(=O)[C@@H]3CCNC3)cc2)c1
InChIInChI=1S/C18H20N2O3/c1-22-16-3-2-4-17(11-16)23-15-7-5-14(6-8-15)20-18(21)13-9-10-19-12-13/h2-8,11,13,19H,9-10,12H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyMUKXKYAHPFVQNE-CYBMUJFWSA-N
MW312.37 g/mol
LogP3.04
Rot. Bonds5

About (3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide

(3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide (PubChem CID 124687466) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide
PubChem CID124687466
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(Oc2ccc(NC(=O)[C@@H]3CCNC3)cc2)c1
InChIInChI=1S/C18H20N2O3/c1-22-16-3-2-4-17(11-16)23-15-7-5-14(6-8-15)20-18(21)13-9-10-19-12-13/h2-8,11,13,19H,9-10,12H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyMUKXKYAHPFVQNE-CYBMUJFWSA-N
XLogP3.04
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[4-(3-methoxyphenoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120624482
N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266283
N-[4-(3-fluorophenoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119299176
cis-(1R,3S)-3-amino-N-[4-(3-methoxyphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 154915202
N-[4-(3-fluorophenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119299172
N-[4-(3-methylsulfonylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119331518
N-[4-(2-methoxyphenoxy)phenyl]piperidine-4-carboxamide
CID 119275432
(2S)-1-(cyclopropanecarbonyl)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 131909515
(3S)-N-[2-(3-methoxyphenoxy)ethyl]pyrrolidine-3-carboxamide
CID 124687672
N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119754328
N-(3-butoxyphenyl)pyrrolidine-3-carboxamide
CID 119745768
N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide
CID 119317934

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide (CID 124687466) is (3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide is COc1cccc(Oc2ccc(NC(=O)[C@@H]3CCNC3)cc2)c1.
What is the InChIKey of (3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is MUKXKYAHPFVQNE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-16-3-2-4-17(11-16)23-15-7-5-14(6-8-15)20-18(21)13-9-10-19-12-13/h2-8,11,13,19H,9-10,12H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide?
(3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 124687466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).