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

C22H27N3O2 — CID 9142669

IUPAC3-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)NCc2ccccc2CN2CCCC2)c1
InChIInChI=1S/C22H27N3O2/c1-17-7-6-10-18(13-17)22(27)24-15-21(26)23-14-19-8-2-3-9-20(19)16-25-11-4-5-12-25/h2-3,6-10,13H,4-5,11-12,14-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyWJTAZZLXNNPDOB-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.64
Rot. Bonds7

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

3-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide (PubChem CID 9142669) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
PubChem CID9142669
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)NCc2ccccc2CN2CCCC2)c1
InChIInChI=1S/C22H27N3O2/c1-17-7-6-10-18(13-17)22(27)24-15-21(26)23-14-19-8-2-3-9-20(19)16-25-11-4-5-12-25/h2-3,6-10,13H,4-5,11-12,14-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyWJTAZZLXNNPDOB-UHFFFAOYSA-N
XLogP2.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]naphthalene-2-carboxamide
CID 24551039
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N-[2-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 154839761
3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 41438486
3,4,5-trimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 55429146
3-methyl-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 38556545
N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481147
N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]-4-propan-2-yloxybenzamide
CID 24551426
N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 60517749
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]-2-phenylacetamide
CID 41438782
2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide
CID 55826262
(3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24725235

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide (CID 9142669) is 3-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide is Cc1cccc(C(=O)NCC(=O)NCc2ccccc2CN2CCCC2)c1.
What is the InChIKey of 3-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide?
The InChIKey is WJTAZZLXNNPDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17-7-6-10-18(13-17)22(27)24-15-21(26)23-14-19-8-2-3-9-20(19)16-25-11-4-5-12-25/h2-3,6-10,13H,4-5,11-12,14-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 3-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide?
3-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide has a molecular weight of 365.48 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide is sourced from PubChem (CID 9142669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).