4-ethoxy-N-methyl-N-(pyrrolidin-3-ylmethyl)benzamide

C15H22N2O2 — CID 115272269

IUPAC4-ethoxy-N-methyl-N-(pyrrolidin-3-ylmethyl)benzamide
SMILESCCOc1ccc(C(=O)N(C)CC2CCNC2)cc1
InChIInChI=1S/C15H22N2O2/c1-3-19-14-6-4-13(5-7-14)15(18)17(2)11-12-8-9-16-10-12/h4-7,12,16H,3,8-11H2,1-2H3
InChIKeyZUHCMHZWCPDORL-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.77
Rot. Bonds5

About 4-ethoxy-N-methyl-N-(pyrrolidin-3-ylmethyl)benzamide

4-ethoxy-N-methyl-N-(pyrrolidin-3-ylmethyl)benzamide (PubChem CID 115272269) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-N-(pyrrolidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-methyl-N-(pyrrolidin-3-ylmethyl)benzamide
PubChem CID115272269
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-ethoxy-N-methyl-N-(pyrrolidin-3-ylmethyl)benzamide
SMILESCCOc1ccc(C(=O)N(C)CC2CCNC2)cc1
InChIInChI=1S/C15H22N2O2/c1-3-19-14-6-4-13(5-7-14)15(18)17(2)11-12-8-9-16-10-12/h4-7,12,16H,3,8-11H2,1-2H3
InChIKeyZUHCMHZWCPDORL-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-ethyl-N-(piperidin-4-ylmethyl)benzamide
CID 79698338
4-ethoxy-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide
CID 82177255
(3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine
CID 86321325
4-ethoxy-N-ethyl-N-piperidin-3-ylbenzamide
CID 60807243
3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830321
4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119537733
4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551835
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
4-ethoxy-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide
CID 119537745
3-methoxy-N,4-dimethyl-N-(piperidin-4-ylmethyl)benzamide
CID 79721035
4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454852
4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107990969

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-N-(pyrrolidin-3-ylmethyl)benzamide?
The IUPAC name of 4-ethoxy-N-methyl-N-(pyrrolidin-3-ylmethyl)benzamide (CID 115272269) is 4-ethoxy-N-methyl-N-(pyrrolidin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-ethoxy-N-methyl-N-(pyrrolidin-3-ylmethyl)benzamide?
The canonical SMILES for 4-ethoxy-N-methyl-N-(pyrrolidin-3-ylmethyl)benzamide is CCOc1ccc(C(=O)N(C)CC2CCNC2)cc1.
What is the InChIKey of 4-ethoxy-N-methyl-N-(pyrrolidin-3-ylmethyl)benzamide?
The InChIKey is ZUHCMHZWCPDORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-19-14-6-4-13(5-7-14)15(18)17(2)11-12-8-9-16-10-12/h4-7,12,16H,3,8-11H2,1-2H3.
What are the key properties of 4-ethoxy-N-methyl-N-(pyrrolidin-3-ylmethyl)benzamide?
4-ethoxy-N-methyl-N-(pyrrolidin-3-ylmethyl)benzamide has a molecular weight of 262.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-N-(pyrrolidin-3-ylmethyl)benzamide is sourced from PubChem (CID 115272269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).