2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide

C15H22N2O2 — CID 55026177

IUPAC2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide
SMILESCCOc1ccccc1C(=O)N(CC)C1CCNC1
InChIInChI=1S/C15H22N2O2/c1-3-17(12-9-10-16-11-12)15(18)13-7-5-6-8-14(13)19-4-2/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeySTWIAEOHFDUIDC-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.91
Rot. Bonds5

About 2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide

2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 55026177) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide
PubChem CID55026177
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide
SMILESCCOc1ccccc1C(=O)N(CC)C1CCNC1
InChIInChI=1S/C15H22N2O2/c1-3-17(12-9-10-16-11-12)15(18)13-7-5-6-8-14(13)19-4-2/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeySTWIAEOHFDUIDC-UHFFFAOYSA-N
XLogP1.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azetidin-3-yl)-N-ethyl-2-methoxybenzamide
CID 66182739
N-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide
CID 79217551
N-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806343
2-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 63638302
2-ethoxy-N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butyl]benzamide;hydrochloride
CID 119531158
N-ethyl-1-hydroxy-N-pyrrolidin-3-ylnaphthalene-2-carboxamide
CID 60806004
N-(2-aminoethyl)-N-cyclopropyl-2-ethoxybenzamide
CID 61349951
N-ethyl-2-hydroxy-3-methoxy-N-piperidin-3-ylbenzamide
CID 60807403
1-[2-[2-[ethyl(pyrrolidin-3-yl)amino]ethoxy]phenyl]ethanone
CID 63300204
N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide
CID 72544793
N-(2-bromoethyl)-N-cyclopentyl-2-ethoxybenzamide
CID 80659872
N-(3-chloropropyl)-N-cyclobutyl-2-ethoxybenzamide
CID 102871986

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide (CID 55026177) is 2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide is CCOc1ccccc1C(=O)N(CC)C1CCNC1.
What is the InChIKey of 2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is STWIAEOHFDUIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-17(12-9-10-16-11-12)15(18)13-7-5-6-8-14(13)19-4-2/h5-8,12,16H,3-4,9-11H2,1-2H3.
What are the key properties of 2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide?
2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 55026177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).