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

C15H21N3O2 — CID 102892418

IUPAC4-[4-(ethylamino)benzoyl]-1-methyl-1,4-diazepan-2-one
SMILESCCNc1ccc(C(=O)N2CCCN(C)C(=O)C2)cc1
InChIInChI=1S/C15H21N3O2/c1-3-16-13-7-5-12(6-8-13)15(20)18-10-4-9-17(2)14(19)11-18/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyGNWGXUYSUMHGLR-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.42
Rot. Bonds3

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

4-[4-(ethylamino)benzoyl]-1-methyl-1,4-diazepan-2-one (PubChem CID 102892418) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[4-(ethylamino)benzoyl]-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[4-(ethylamino)benzoyl]-1-methyl-1,4-diazepan-2-one
PubChem CID102892418
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-[4-(ethylamino)benzoyl]-1-methyl-1,4-diazepan-2-one
SMILESCCNc1ccc(C(=O)N2CCCN(C)C(=O)C2)cc1
InChIInChI=1S/C15H21N3O2/c1-3-16-13-7-5-12(6-8-13)15(20)18-10-4-9-17(2)14(19)11-18/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyGNWGXUYSUMHGLR-UHFFFAOYSA-N
XLogP1.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[4-(propylamino)benzoyl]-1,4-diazepan-2-one
CID 102892326
[4-(ethylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 62178263
1-methyl-4-[2-methyl-4-(methylamino)benzoyl]-1,4-diazepan-2-one
CID 102892314
4-(3-hydroxy-4-iodobenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102978212
4-(4-hydrazinyl-2-methylbenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102892693
4-(3-amino-4-fluorobenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888114
4-(3-bromo-4-chlorobenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102847827
4-(4-bromo-3-chlorobenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102847803
4-(2-amino-6-ethylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102892503
1-methyl-4-(4-sulfanylbenzoyl)piperazin-2-one
CID 107030966
[4-(ethylamino)phenyl]-(4-ethylpiperidin-1-yl)methanone
CID 62177623
(4-tert-butylpiperidin-1-yl)-[4-(ethylamino)phenyl]methanone
CID 62179529

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylamino)benzoyl]-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-[4-(ethylamino)benzoyl]-1-methyl-1,4-diazepan-2-one (CID 102892418) is 4-[4-(ethylamino)benzoyl]-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-[4-(ethylamino)benzoyl]-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-[4-(ethylamino)benzoyl]-1-methyl-1,4-diazepan-2-one is CCNc1ccc(C(=O)N2CCCN(C)C(=O)C2)cc1.
What is the InChIKey of 4-[4-(ethylamino)benzoyl]-1-methyl-1,4-diazepan-2-one?
The InChIKey is GNWGXUYSUMHGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-16-13-7-5-12(6-8-13)15(20)18-10-4-9-17(2)14(19)11-18/h5-8,16H,3-4,9-11H2,1-2H3.
What are the key properties of 4-[4-(ethylamino)benzoyl]-1-methyl-1,4-diazepan-2-one?
4-[4-(ethylamino)benzoyl]-1-methyl-1,4-diazepan-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylamino)benzoyl]-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102892418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).