1-methyl-4-[2-methyl-4-(methylamino)benzoyl]-1,4-diazepan-2-one

C15H21N3O2 — CID 102892314

IUPAC1-methyl-4-[2-methyl-4-(methylamino)benzoyl]-1,4-diazepan-2-one
SMILESCNc1ccc(C(=O)N2CCCN(C)C(=O)C2)c(C)c1
InChIInChI=1S/C15H21N3O2/c1-11-9-12(16-2)5-6-13(11)15(20)18-8-4-7-17(3)14(19)10-18/h5-6,9,16H,4,7-8,10H2,1-3H3
InChIKeyNSIAHQCSAWEFTM-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.34
Rot. Bonds2

About 1-methyl-4-[2-methyl-4-(methylamino)benzoyl]-1,4-diazepan-2-one

1-methyl-4-[2-methyl-4-(methylamino)benzoyl]-1,4-diazepan-2-one (PubChem CID 102892314) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-methyl-4-[2-methyl-4-(methylamino)benzoyl]-1,4-diazepan-2-one.

Molecular Properties

Compound Name1-methyl-4-[2-methyl-4-(methylamino)benzoyl]-1,4-diazepan-2-one
PubChem CID102892314
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-methyl-4-[2-methyl-4-(methylamino)benzoyl]-1,4-diazepan-2-one
SMILESCNc1ccc(C(=O)N2CCCN(C)C(=O)C2)c(C)c1
InChIInChI=1S/C15H21N3O2/c1-11-9-12(16-2)5-6-13(11)15(20)18-8-4-7-17(3)14(19)10-18/h5-6,9,16H,4,7-8,10H2,1-3H3
InChIKeyNSIAHQCSAWEFTM-UHFFFAOYSA-N
XLogP1.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-[2-methyl-4-(methylamino)benzoyl]-1,4-diazepan-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-(4-hydrazinyl-2-methylbenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102892693
4-[4-(ethylamino)benzoyl]-1-methyl-1,4-diazepan-2-one
CID 102892418
4-(2-amino-5-methylbenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888140
(3-hydroxy-4-methylpiperidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone
CID 102964750
1-methyl-4-[4-(propylamino)benzoyl]-1,4-diazepan-2-one
CID 102892326
1-methyl-4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one
CID 102847836
(2,2-dimethylpyrrolidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone
CID 113400210
4-(5-fluoro-2-hydroxybenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102889204
4-(2-chloropyridine-3-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102848032
4-(3-hydroxy-4-iodobenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102978212
4-(2-amino-5-methoxybenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888081
4-(3-amino-4-fluorobenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888114

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-methyl-4-(methylamino)benzoyl]-1,4-diazepan-2-one?
The IUPAC name of 1-methyl-4-[2-methyl-4-(methylamino)benzoyl]-1,4-diazepan-2-one (CID 102892314) is 1-methyl-4-[2-methyl-4-(methylamino)benzoyl]-1,4-diazepan-2-one.
What is the SMILES notation for 1-methyl-4-[2-methyl-4-(methylamino)benzoyl]-1,4-diazepan-2-one?
The canonical SMILES for 1-methyl-4-[2-methyl-4-(methylamino)benzoyl]-1,4-diazepan-2-one is CNc1ccc(C(=O)N2CCCN(C)C(=O)C2)c(C)c1.
What is the InChIKey of 1-methyl-4-[2-methyl-4-(methylamino)benzoyl]-1,4-diazepan-2-one?
The InChIKey is NSIAHQCSAWEFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-9-12(16-2)5-6-13(11)15(20)18-8-4-7-17(3)14(19)10-18/h5-6,9,16H,4,7-8,10H2,1-3H3.
What are the key properties of 1-methyl-4-[2-methyl-4-(methylamino)benzoyl]-1,4-diazepan-2-one?
1-methyl-4-[2-methyl-4-(methylamino)benzoyl]-1,4-diazepan-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-methyl-4-(methylamino)benzoyl]-1,4-diazepan-2-one is sourced from PubChem (CID 102892314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).