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

C15H21N3O2 — CID 60928640

IUPAC4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
SMILESCC(CN1CCCC1=O)NC(=O)c1ccc(CN)cc1
InChIInChI=1S/C15H21N3O2/c1-11(10-18-8-2-3-14(18)19)17-15(20)13-6-4-12(9-16)5-7-13/h4-7,11H,2-3,8-10,16H2,1H3,(H,17,20)
InChIKeyJJJVRPMCIOASKZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.89
Rot. Bonds5

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

4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide (PubChem CID 60928640) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
PubChem CID60928640
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
SMILESCC(CN1CCCC1=O)NC(=O)c1ccc(CN)cc1
InChIInChI=1S/C15H21N3O2/c1-11(10-18-8-2-3-14(18)19)17-15(20)13-6-4-12(9-16)5-7-13/h4-7,11H,2-3,8-10,16H2,1H3,(H,17,20)
InChIKeyJJJVRPMCIOASKZ-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-fluoro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 62678143
3-(chloromethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 60934371
4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
CID 30046782
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 61062526
6-oxo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyridine-2-carboxamide
CID 107362990
3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 95621032
4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119285773
5-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-3-carboxamide
CID 47267922
2,4-diamino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 61117076
2-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 66375513
2-amino-N-[2-oxo-2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]acetamide
CID 54863279
3-bromo-2-methyl-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 97054372

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide (CID 60928640) is 4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide is CC(CN1CCCC1=O)NC(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide?
The InChIKey is JJJVRPMCIOASKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(10-18-8-2-3-14(18)19)17-15(20)13-6-4-12(9-16)5-7-13/h4-7,11H,2-3,8-10,16H2,1H3,(H,17,20).
What are the key properties of 4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide?
4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide has a molecular weight of 275.35 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide is sourced from PubChem (CID 60928640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).