3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide

C15H23N3O — CID 106614911

IUPAC3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide
SMILESCCN(Cc1cccc(C(N)=O)c1)CC1CCCN1
InChIInChI=1S/C15H23N3O/c1-2-18(11-14-7-4-8-17-14)10-12-5-3-6-13(9-12)15(16)19/h3,5-6,9,14,17H,2,4,7-8,10-11H2,1H3,(H2,16,19)
InChIKeyRPRVMOHIXNQATB-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.36
Rot. Bonds6

About 3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide

3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide (PubChem CID 106614911) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide
PubChem CID106614911
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide
SMILESCCN(Cc1cccc(C(N)=O)c1)CC1CCCN1
InChIInChI=1S/C15H23N3O/c1-2-18(11-14-7-4-8-17-14)10-12-5-3-6-13(9-12)15(16)19/h3,5-6,9,14,17H,2,4,7-8,10-11H2,1H3,(H2,16,19)
InChIKeyRPRVMOHIXNQATB-UHFFFAOYSA-N
XLogP1.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide
CID 106615202
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603533
3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzamide
CID 79540029
3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide
CID 61366263
N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819441
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43433017
3-[(dipropylamino)methyl]benzamide
CID 82041313
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-3-fluorobenzamide
CID 106619510
3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride
CID 119770329
4-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-2-fluorophenol
CID 107692162
3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106607121

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide?
The IUPAC name of 3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide (CID 106614911) is 3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide.
What is the SMILES notation for 3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide?
The canonical SMILES for 3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide is CCN(Cc1cccc(C(N)=O)c1)CC1CCCN1.
What is the InChIKey of 3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide?
The InChIKey is RPRVMOHIXNQATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-18(11-14-7-4-8-17-14)10-12-5-3-6-13(9-12)15(16)19/h3,5-6,9,14,17H,2,4,7-8,10-11H2,1H3,(H2,16,19).
What are the key properties of 3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide?
3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide has a molecular weight of 261.37 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide is sourced from PubChem (CID 106614911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).