N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide

C15H22N2O3 — CID 119705639

IUPACN-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(CCNC(=O)C2CCNC2)c1
InChIInChI=1S/C15H22N2O3/c1-19-13-3-4-14(20-2)11(9-13)6-8-17-15(18)12-5-7-16-10-12/h3-4,9,12,16H,5-8,10H2,1-2H3,(H,17,18)
InChIKeyRTMXMEWPPLWJLK-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.97
Rot. Bonds6

About N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide

N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 119705639) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID119705639
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(CCNC(=O)C2CCNC2)c1
InChIInChI=1S/C15H22N2O3/c1-19-13-3-4-14(20-2)11(9-13)6-8-17-15(18)12-5-7-16-10-12/h3-4,9,12,16H,5-8,10H2,1-2H3,(H,17,18)
InChIKeyRTMXMEWPPLWJLK-UHFFFAOYSA-N
XLogP0.97
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138
(1S)-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 94484941
N-[2-(2,4,6-trimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119320836
N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 63362624
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705625
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705612
(3S)-N-[2-(3-methoxyphenoxy)ethyl]pyrrolidine-3-carboxamide
CID 124687672
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 119287258
N-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide
CID 110788021
N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 119299643
N-[2-(2-ethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119772912

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide (CID 119705639) is N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide is COc1ccc(OC)c(CCNC(=O)C2CCNC2)c1.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is RTMXMEWPPLWJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-13-3-4-14(20-2)11(9-13)6-8-17-15(18)12-5-7-16-10-12/h3-4,9,12,16H,5-8,10H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide?
N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119705639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).