3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide

C14H20N2O2 — CID 119513246

IUPAC3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCOc1cccc(C(=O)NCC2CCCN2)c1
InChIInChI=1S/C14H20N2O2/c1-2-18-13-7-3-5-11(9-13)14(17)16-10-12-6-4-8-15-12/h3,5,7,9,12,15H,2,4,6,8,10H2,1H3,(H,16,17)
InChIKeyGPRYXPIMGAZCLR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.57
Rot. Bonds5

About 3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide

3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 119513246) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID119513246
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCOc1cccc(C(=O)NCC2CCCN2)c1
InChIInChI=1S/C14H20N2O2/c1-2-18-13-7-3-5-11(9-13)14(17)16-10-12-6-4-8-15-12/h3,5,7,9,12,15H,2,4,6,8,10H2,1H3,(H,16,17)
InChIKeyGPRYXPIMGAZCLR-UHFFFAOYSA-N
XLogP1.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(piperidin-2-ylmethyl)-3-propoxybenzamide
CID 62919504
3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514257
N-(2-methylpropyl)-3-(pyrrolidin-2-ylmethoxy)benzamide
CID 141311603
3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120945188
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
3-propan-2-yloxy-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793671
methyl 3-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate
CID 162750790
2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119509770
4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542341
N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363868
3-[(propan-2-ylamino)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide
CID 121367800

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide (CID 119513246) is 3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide is CCOc1cccc(C(=O)NCC2CCCN2)c1.
What is the InChIKey of 3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is GPRYXPIMGAZCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-18-13-7-3-5-11(9-13)14(17)16-10-12-6-4-8-15-12/h3,5,7,9,12,15H,2,4,6,8,10H2,1H3,(H,16,17).
What are the key properties of 3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 119513246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).