4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide

C20H23N3O2 — CID 119285773

IUPAC4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESNCc1ccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1
InChIInChI=1S/C20H23N3O2/c21-12-15-7-9-18(10-8-15)20(25)22-13-16-3-5-17(6-4-16)14-23-11-1-2-19(23)24/h3-10H,1-2,11-14,21H2,(H,22,25)
InChIKeyIZVWEYPMJCVGMU-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.20
Rot. Bonds6

About 4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide

4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 119285773) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID119285773
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESNCc1ccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1
InChIInChI=1S/C20H23N3O2/c21-12-15-7-9-18(10-8-15)20(25)22-13-16-3-5-17(6-4-16)14-23-11-1-2-19(23)24/h3-10H,1-2,11-14,21H2,(H,22,25)
InChIKeyIZVWEYPMJCVGMU-UHFFFAOYSA-N
XLogP2.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-morpholin-4-yl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46974678
3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide;hydrochloride
CID 119716935
3,4-dimethyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 96545359
2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid
CID 119137095
4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide
CID 32745199
N-[(1-benzylpyrazol-4-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 86990134
N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 32686719
N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 47232606
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55715224
3-(dimethylsulfamoyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 100626204
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 51195842

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide (CID 119285773) is 4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide is NCc1ccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is IZVWEYPMJCVGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c21-12-15-7-9-18(10-8-15)20(25)22-13-16-3-5-17(6-4-16)14-23-11-1-2-19(23)24/h3-10H,1-2,11-14,21H2,(H,22,25).
What are the key properties of 4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 337.42 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 119285773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).