(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrrolidine-2-carboxamide

C17H26N2O3 — CID 119264764

IUPAC(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)[C@@H]2CCCN2)cc1OCC
InChIInChI=1S/C17H26N2O3/c1-3-21-15-8-7-13(12-16(15)22-4-2)9-11-19-17(20)14-6-5-10-18-14/h7-8,12,14,18H,3-6,9-11H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyRVQWNAMRJGXFJK-AWEZNQCLSA-N
MW306.41 g/mol
LogP1.89
Rot. Bonds8

About (2S)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrrolidine-2-carboxamide

(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 119264764) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2S)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID119264764
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)[C@@H]2CCCN2)cc1OCC
InChIInChI=1S/C17H26N2O3/c1-3-21-15-8-7-13(12-16(15)22-4-2)9-11-19-17(20)14-6-5-10-18-14/h7-8,12,14,18H,3-6,9-11H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyRVQWNAMRJGXFJK-AWEZNQCLSA-N
XLogP1.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119263802
(2S,4S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616882
1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108887610
N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83632123
N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119262908
N-[2-(3,4-diethoxyphenyl)ethyl]-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide
CID 24653802
N'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108529732
N'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108504420
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 119295341
(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955
(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 103795109
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrrolidine-2-carboxamide (CID 119264764) is (2S)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrrolidine-2-carboxamide is CCOc1ccc(CCNC(=O)[C@@H]2CCCN2)cc1OCC.
What is the InChIKey of (2S)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is RVQWNAMRJGXFJK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-21-15-8-7-13(12-16(15)22-4-2)9-11-19-17(20)14-6-5-10-18-14/h7-8,12,14,18H,3-6,9-11H2,1-2H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119264764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).