N-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide

C14H20N2O — CID 168512289

IUPACN-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide
SMILESCCNC(=O)c1ccc(N2CCCC2)c(C)c1
InChIInChI=1S/C14H20N2O/c1-3-15-14(17)12-6-7-13(11(2)10-12)16-8-4-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,17)
InChIKeyCWNCCIROZHACFN-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.34
Rot. Bonds3

About N-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide

N-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide (PubChem CID 168512289) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide
PubChem CID168512289
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide
SMILESCCNC(=O)c1ccc(N2CCCC2)c(C)c1
InChIInChI=1S/C14H20N2O/c1-3-15-14(17)12-6-7-13(11(2)10-12)16-8-4-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,17)
InChIKeyCWNCCIROZHACFN-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349269
3-methyl-4-piperazin-1-yl-N-propylbenzamide
CID 28749402
(3-methyl-4-pyrrolidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 168513476
N-ethyl-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methylbenzamide
CID 168662107
3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide
CID 83000329
5-amino-N-ethyl-2-piperidin-1-ylbenzamide
CID 100651237
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
4-bromo-N-ethyl-3-methylbenzamide
CID 18712023
3,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 38117000
N-ethyl-3-methyl-4-[4-[(5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide
CID 154584559
4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide
CID 3746757
N-ethyl-3-methyl-4-propan-2-ylbenzamide
CID 58969990

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide (CID 168512289) is N-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide is CCNC(=O)c1ccc(N2CCCC2)c(C)c1.
What is the InChIKey of N-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide?
The InChIKey is CWNCCIROZHACFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-15-14(17)12-6-7-13(11(2)10-12)16-8-4-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,17).
What are the key properties of N-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide?
N-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide has a molecular weight of 232.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 168512289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).