(2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide

C14H20N2O4 — CID 104900490

IUPAC(2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCN2)cc1OCCO
InChIInChI=1S/C14H20N2O4/c1-19-12-5-4-10(9-13(12)20-8-7-17)16-14(18)11-3-2-6-15-11/h4-5,9,11,15,17H,2-3,6-8H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyANQDBNCMWMRJMO-LLVKDONJSA-N
MW280.32 g/mol
LogP0.76
Rot. Bonds6

About (2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide

(2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide (PubChem CID 104900490) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
PubChem CID104900490
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCN2)cc1OCCO
InChIInChI=1S/C14H20N2O4/c1-19-12-5-4-10(9-13(12)20-8-7-17)16-14(18)11-3-2-6-15-11/h4-5,9,11,15,17H,2-3,6-8H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyANQDBNCMWMRJMO-LLVKDONJSA-N
XLogP0.76
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 103795109
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 103808938
N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 43712591
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119717666
N-(3,4-dimethoxyphenyl)azepane-2-carboxamide
CID 64562794
(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119673647
(2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide
CID 119679429
(2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 103794468
(2R)-N-(4-methoxy-3-methylphenyl)piperidine-2-carboxamide
CID 94222952
(2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide
CID 61179228
(2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide
CID 103808843
N-(3,4-dimethoxyphenyl)-2-oxo-2-pyrrolidin-2-ylacetamide
CID 178032550

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide (CID 104900490) is (2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide is COc1ccc(NC(=O)[C@H]2CCCN2)cc1OCCO.
What is the InChIKey of (2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide?
The InChIKey is ANQDBNCMWMRJMO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-19-12-5-4-10(9-13(12)20-8-7-17)16-14(18)11-3-2-6-15-11/h4-5,9,11,15,17H,2-3,6-8H2,1H3,(H,16,18)/t11-/m1/s1.
What are the key properties of (2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide?
(2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 104900490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).