1-methyl-5-oxo-N-phenyl-N-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]pyrrolidine-3-carboxamide

C25H31N3O2 — CID 70100097

IUPAC1-methyl-5-oxo-N-phenyl-N-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]pyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(CCCN2CCc3ccccc3CC2)c2ccccc2)CC1=O
InChIInChI=1S/C25H31N3O2/c1-26-19-22(18-24(26)29)25(30)28(23-10-3-2-4-11-23)15-7-14-27-16-12-20-8-5-6-9-21(20)13-17-27/h2-6,8-11,22H,7,12-19H2,1H3
InChIKeyMBRFMGMAQWQDBB-UHFFFAOYSA-N
MW405.54 g/mol
LogP2.99
Rot. Bonds6

About 1-methyl-5-oxo-N-phenyl-N-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]pyrrolidine-3-carboxamide

1-methyl-5-oxo-N-phenyl-N-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]pyrrolidine-3-carboxamide (PubChem CID 70100097) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 1-methyl-5-oxo-N-phenyl-N-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-oxo-N-phenyl-N-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]pyrrolidine-3-carboxamide
PubChem CID70100097
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name1-methyl-5-oxo-N-phenyl-N-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]pyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(CCCN2CCc3ccccc3CC2)c2ccccc2)CC1=O
InChIInChI=1S/C25H31N3O2/c1-26-19-22(18-24(26)29)25(30)28(23-10-3-2-4-11-23)15-7-14-27-16-12-20-8-5-6-9-21(20)13-17-27/h2-6,8-11,22H,7,12-19H2,1H3
InChIKeyMBRFMGMAQWQDBB-UHFFFAOYSA-N
XLogP2.99
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

but-2-enedioic acid;1-methyl-5-oxo-N-phenyl-N-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]pyrrolidine-3-carboxamide
CID 70100100
N-[3-(4-benzylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 514971
N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 70101068
N-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 70296770
N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 70100316
N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(4-tert-butylphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 514982
N-(4-chlorophenyl)-N-(3-chloropropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 139916332
N-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 139916265
N-benzyl-1-[3-(dimethylamino)propyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113183127
N-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 515010
N-butyl-1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17120494
N-(2-methoxyphenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide
CID 139916275

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-oxo-N-phenyl-N-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-5-oxo-N-phenyl-N-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]pyrrolidine-3-carboxamide (CID 70100097) is 1-methyl-5-oxo-N-phenyl-N-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-5-oxo-N-phenyl-N-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-5-oxo-N-phenyl-N-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]pyrrolidine-3-carboxamide is CN1CC(C(=O)N(CCCN2CCc3ccccc3CC2)c2ccccc2)CC1=O.
What is the InChIKey of 1-methyl-5-oxo-N-phenyl-N-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]pyrrolidine-3-carboxamide?
The InChIKey is MBRFMGMAQWQDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-26-19-22(18-24(26)29)25(30)28(23-10-3-2-4-11-23)15-7-14-27-16-12-20-8-5-6-9-21(20)13-17-27/h2-6,8-11,22H,7,12-19H2,1H3.
What are the key properties of 1-methyl-5-oxo-N-phenyl-N-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]pyrrolidine-3-carboxamide?
1-methyl-5-oxo-N-phenyl-N-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]pyrrolidine-3-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxo-N-phenyl-N-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 70100097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).