2-methyl-N-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethyl]benzamide

C21H25N3O2 — CID 46417268

IUPAC2-methyl-N-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCC(=O)Nc1cccc(CN2CCCC2)c1
InChIInChI=1S/C21H25N3O2/c1-16-7-2-3-10-19(16)21(26)22-14-20(25)23-18-9-6-8-17(13-18)15-24-11-4-5-12-24/h2-3,6-10,13H,4-5,11-12,14-15H2,1H3,(H,22,26)(H,23,25)
InChIKeyFLXBFHIEZVXFEL-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.96
Rot. Bonds6

About 2-methyl-N-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethyl]benzamide

2-methyl-N-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethyl]benzamide (PubChem CID 46417268) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethyl]benzamide
PubChem CID46417268
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-methyl-N-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCC(=O)Nc1cccc(CN2CCCC2)c1
InChIInChI=1S/C21H25N3O2/c1-16-7-2-3-10-19(16)21(26)22-14-20(25)23-18-9-6-8-17(13-18)15-24-11-4-5-12-24/h2-3,6-10,13H,4-5,11-12,14-15H2,1H3,(H,22,26)(H,23,25)
InChIKeyFLXBFHIEZVXFEL-UHFFFAOYSA-N
XLogP2.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 94099357
2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 43704904
3,4,5-trimethoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 38842437
2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 46482174
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428
N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylbenzamide
CID 2234244
N-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]-2-methylbenzamide
CID 24687782
(2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724725
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 38842372
1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131944566
4-(azepan-1-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131936661
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethyl]benzamide (CID 46417268) is 2-methyl-N-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethyl]benzamide is Cc1ccccc1C(=O)NCC(=O)Nc1cccc(CN2CCCC2)c1.
What is the InChIKey of 2-methyl-N-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethyl]benzamide?
The InChIKey is FLXBFHIEZVXFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-7-2-3-10-19(16)21(26)22-14-20(25)23-18-9-6-8-17(13-18)15-24-11-4-5-12-24/h2-3,6-10,13H,4-5,11-12,14-15H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 2-methyl-N-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethyl]benzamide?
2-methyl-N-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethyl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethyl]benzamide is sourced from PubChem (CID 46417268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).