3-methyl-N-(5-oxopyrrolidin-3-yl)-4-(propylamino)benzamide

C15H21N3O2 — CID 106197813

IUPAC3-methyl-N-(5-oxopyrrolidin-3-yl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NC2CNC(=O)C2)cc1C
InChIInChI=1S/C15H21N3O2/c1-3-6-16-13-5-4-11(7-10(13)2)15(20)18-12-8-14(19)17-9-12/h4-5,7,12,16H,3,6,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUCNIHFLDSQOHJQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.44
Rot. Bonds5

About 3-methyl-N-(5-oxopyrrolidin-3-yl)-4-(propylamino)benzamide

3-methyl-N-(5-oxopyrrolidin-3-yl)-4-(propylamino)benzamide (PubChem CID 106197813) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-methyl-N-(5-oxopyrrolidin-3-yl)-4-(propylamino)benzamide.

Molecular Properties

Compound Name3-methyl-N-(5-oxopyrrolidin-3-yl)-4-(propylamino)benzamide
PubChem CID106197813
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-methyl-N-(5-oxopyrrolidin-3-yl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NC2CNC(=O)C2)cc1C
InChIInChI=1S/C15H21N3O2/c1-3-6-16-13-5-4-11(7-10(13)2)15(20)18-12-8-14(19)17-9-12/h4-5,7,12,16H,3,6,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUCNIHFLDSQOHJQ-UHFFFAOYSA-N
XLogP1.44
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methanesulfonamido)-4-methyl-N-(5-oxopyrrolidin-3-yl)benzamide
CID 136521548
4-hydrazinyl-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662542
2-ethyl-N-(5-oxopyrrolidin-3-yl)-6-(propylamino)pyridine-4-carboxamide
CID 106197807
3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662752
methyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate
CID 95984956
3-[(5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 114156972
N-cycloheptyl-4-(ethylamino)-3-methylbenzamide
CID 63210563
N-(5-oxopyrrolidin-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 112534753
4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 113256480
4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide
CID 103951495
N-(5-oxopyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide
CID 56765647
N-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide
CID 63210532

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-oxopyrrolidin-3-yl)-4-(propylamino)benzamide?
The IUPAC name of 3-methyl-N-(5-oxopyrrolidin-3-yl)-4-(propylamino)benzamide (CID 106197813) is 3-methyl-N-(5-oxopyrrolidin-3-yl)-4-(propylamino)benzamide.
What is the SMILES notation for 3-methyl-N-(5-oxopyrrolidin-3-yl)-4-(propylamino)benzamide?
The canonical SMILES for 3-methyl-N-(5-oxopyrrolidin-3-yl)-4-(propylamino)benzamide is CCCNc1ccc(C(=O)NC2CNC(=O)C2)cc1C.
What is the InChIKey of 3-methyl-N-(5-oxopyrrolidin-3-yl)-4-(propylamino)benzamide?
The InChIKey is UCNIHFLDSQOHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-6-16-13-5-4-11(7-10(13)2)15(20)18-12-8-14(19)17-9-12/h4-5,7,12,16H,3,6,8-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-methyl-N-(5-oxopyrrolidin-3-yl)-4-(propylamino)benzamide?
3-methyl-N-(5-oxopyrrolidin-3-yl)-4-(propylamino)benzamide has a molecular weight of 275.35 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-oxopyrrolidin-3-yl)-4-(propylamino)benzamide is sourced from PubChem (CID 106197813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).