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

C15H21N3O2 — CID 65225875

IUPAC2-(aminomethyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
SMILESCCC(CN)C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C15H21N3O2/c1-2-11(10-16)15(20)17-12-5-7-13(8-6-12)18-9-3-4-14(18)19/h5-8,11H,2-4,9-10,16H2,1H3,(H,17,20)
InChIKeyYTOGQQSCALBJIO-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.74
Rot. Bonds5

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

2-(aminomethyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide (PubChem CID 65225875) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
PubChem CID65225875
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(aminomethyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
SMILESCCC(CN)C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C15H21N3O2/c1-2-11(10-16)15(20)17-12-5-7-13(8-6-12)18-9-3-4-14(18)19/h5-8,11H,2-4,9-10,16H2,1H3,(H,17,20)
InChIKeyYTOGQQSCALBJIO-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 61155138
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
2-(azocan-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 71899235
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 94028198
2-(aminomethyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide
CID 65228931
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
2-amino-2-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 120666734
(2R)-2-(2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 94027340
4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide
CID 8967594
N-[(2S,3S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide
CID 9371180
(2S)-2-(2-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 99950957

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide (CID 65225875) is 2-(aminomethyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide is CCC(CN)C(=O)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
The InChIKey is YTOGQQSCALBJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-11(10-16)15(20)17-12-5-7-13(8-6-12)18-9-3-4-14(18)19/h5-8,11H,2-4,9-10,16H2,1H3,(H,17,20).
What are the key properties of 2-(aminomethyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
2-(aminomethyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide has a molecular weight of 275.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide is sourced from PubChem (CID 65225875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).