4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide

C20H24N2O — CID 21034256

IUPAC4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCCc1ccc(-c2ccc(C(=O)N(C)C3CCNC3)cc2)cc1
InChIInChI=1S/C20H24N2O/c1-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)20(23)22(2)19-12-13-21-14-19/h4-11,19,21H,3,12-14H2,1-2H3
InChIKeyRZISWNKJWJVFGO-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.35
Rot. Bonds4

About 4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide

4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 21034256) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
PubChem CID21034256
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCCc1ccc(-c2ccc(C(=O)N(C)C3CCNC3)cc2)cc1
InChIInChI=1S/C20H24N2O/c1-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)20(23)22(2)19-12-13-21-14-19/h4-11,19,21H,3,12-14H2,1-2H3
InChIKeyRZISWNKJWJVFGO-UHFFFAOYSA-N
XLogP3.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(methoxymethyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119553670
5-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119552942
4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119554037
N-methyl-4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide
CID 68766913
N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119554876
4-[(cyclopentanecarbonylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552829
4-(ethylsulfanylmethyl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442569
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
4-acetamido-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119549858
4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551835
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide (CID 21034256) is 4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide is CCc1ccc(-c2ccc(C(=O)N(C)C3CCNC3)cc2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is RZISWNKJWJVFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)20(23)22(2)19-12-13-21-14-19/h4-11,19,21H,3,12-14H2,1-2H3.
What are the key properties of 4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide?
4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 308.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 21034256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).