(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide

C14H20N2O3 — CID 103795109

IUPAC(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCCOc1cc(NC(=O)[C@H]2CCCN2)ccc1OC
InChIInChI=1S/C14H20N2O3/c1-3-19-13-9-10(6-7-12(13)18-2)16-14(17)11-5-4-8-15-11/h6-7,9,11,15H,3-5,8H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyRKFAOLDOZJBOEZ-LLVKDONJSA-N
MW264.32 g/mol
LogP1.78
Rot. Bonds5

About (2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide

(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 103795109) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID103795109
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCCOc1cc(NC(=O)[C@H]2CCCN2)ccc1OC
InChIInChI=1S/C14H20N2O3/c1-3-19-13-9-10(6-7-12(13)18-2)16-14(17)11-5-4-8-15-11/h6-7,9,11,15H,3-5,8H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyRKFAOLDOZJBOEZ-LLVKDONJSA-N
XLogP1.78
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 43712591
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 103808938
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119717666
(2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 104900490
N-(3,4-dimethoxyphenyl)azepane-2-carboxamide
CID 64562794
(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119673647
(2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 103794468
(2R)-N-(3-chloro-4-ethoxyphenyl)piperidine-2-carboxamide
CID 93359932
N-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide
CID 64564595
(3R)-N-(3-ethoxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 81124200
(2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide
CID 119679429
(2R)-N-(4-methoxy-3-methylphenyl)piperidine-2-carboxamide
CID 94222952

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide (CID 103795109) is (2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide is CCOc1cc(NC(=O)[C@H]2CCCN2)ccc1OC.
What is the InChIKey of (2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is RKFAOLDOZJBOEZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-19-13-9-10(6-7-12(13)18-2)16-14(17)11-5-4-8-15-11/h6-7,9,11,15H,3-5,8H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide?
(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 103795109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).