3-methyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzamide

C15H21N3O2 — CID 114480710

IUPAC3-methyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzamide
SMILESCc1cc(C(N)=O)ccc1CNCC(=O)N1CCCC1
InChIInChI=1S/C15H21N3O2/c1-11-8-12(15(16)20)4-5-13(11)9-17-10-14(19)18-6-2-3-7-18/h4-5,8,17H,2-3,6-7,9-10H2,1H3,(H2,16,20)
InChIKeyMGAXFWQIERPRBL-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.81
Rot. Bonds5

About 3-methyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzamide

3-methyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzamide (PubChem CID 114480710) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-methyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzamide
PubChem CID114480710
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-methyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzamide
SMILESCc1cc(C(N)=O)ccc1CNCC(=O)N1CCCC1
InChIInChI=1S/C15H21N3O2/c1-11-8-12(15(16)20)4-5-13(11)9-17-10-14(19)18-6-2-3-7-18/h4-5,8,17H,2-3,6-7,9-10H2,1H3,(H2,16,20)
InChIKeyMGAXFWQIERPRBL-UHFFFAOYSA-N
XLogP0.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzamide
CID 102665002
4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
CID 114479983
3-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]benzamide
CID 114480039
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide
CID 114480854
4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzamide
CID 114480437
4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide
CID 114480433
4-fluoro-3-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzoic acid
CID 107453251
3-methyl-4-[[(2-methylcyclohexyl)methylamino]methyl]benzamide
CID 114480123
benzene-1,4-dicarboxamide;3-methyl-4-(piperidine-1-carbonyl)benzamide
CID 66934139
4-[[(5-amino-5-oxopentyl)amino]methyl]-3-methylbenzamide
CID 106237505
4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114480871

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzamide?
The IUPAC name of 3-methyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzamide (CID 114480710) is 3-methyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzamide.
What is the SMILES notation for 3-methyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzamide?
The canonical SMILES for 3-methyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzamide is Cc1cc(C(N)=O)ccc1CNCC(=O)N1CCCC1.
What is the InChIKey of 3-methyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzamide?
The InChIKey is MGAXFWQIERPRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-8-12(15(16)20)4-5-13(11)9-17-10-14(19)18-6-2-3-7-18/h4-5,8,17H,2-3,6-7,9-10H2,1H3,(H2,16,20).
What are the key properties of 3-methyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzamide?
3-methyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzamide has a molecular weight of 275.35 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzamide is sourced from PubChem (CID 114480710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).