N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide

C15H23N3O2 — CID 63005560

IUPACN-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide
SMILESCN(C)CCOc1cccc(NC(=O)C2CCNC2)c1
InChIInChI=1S/C15H23N3O2/c1-18(2)8-9-20-14-5-3-4-13(10-14)17-15(19)12-6-7-16-11-12/h3-5,10,12,16H,6-9,11H2,1-2H3,(H,17,19)
InChIKeyWAGSTIYSFDNVPK-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.17
Rot. Bonds6

About N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide

N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide (PubChem CID 63005560) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide
PubChem CID63005560
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide
SMILESCN(C)CCOc1cccc(NC(=O)C2CCNC2)c1
InChIInChI=1S/C15H23N3O2/c1-18(2)8-9-20-14-5-3-4-13(10-14)17-15(19)12-6-7-16-11-12/h3-5,10,12,16H,6-9,11H2,1-2H3,(H,17,19)
InChIKeyWAGSTIYSFDNVPK-UHFFFAOYSA-N
XLogP1.17
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide
CID 119885879
N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885790
N-[4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119844260
N-(3-butoxyphenyl)pyrrolidine-3-carboxamide
CID 119745768
N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methylpyrrolidine-3-carboxamide
CID 63715447
N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidin-3-amine
CID 79731504
N-[3-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306015
2-(azetidin-3-yl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide
CID 64618376
N-[3-[(2-methylphenyl)methoxy]phenyl]pyrrolidine-3-carboxamide
CID 119785210
N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119291452
N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119303125
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide (CID 63005560) is N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide is CN(C)CCOc1cccc(NC(=O)C2CCNC2)c1.
What is the InChIKey of N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is WAGSTIYSFDNVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(2)8-9-20-14-5-3-4-13(10-14)17-15(19)12-6-7-16-11-12/h3-5,10,12,16H,6-9,11H2,1-2H3,(H,17,19).
What are the key properties of N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide?
N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63005560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).