(2,4-dimethoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone

C15H22N2O3 — CID 6464445

IUPAC(2,4-dimethoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCN(C)CC2)c(OC)c1
InChIInChI=1S/C15H22N2O3/c1-16-7-4-8-17(10-9-16)15(18)13-6-5-12(19-2)11-14(13)20-3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyODRZYWRPKMJSKT-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.48
Rot. Bonds3

About (2,4-dimethoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone

(2,4-dimethoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 6464445) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID6464445
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2,4-dimethoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCN(C)CC2)c(OC)c1
InChIInChI=1S/C15H22N2O3/c1-16-7-4-8-17(10-9-16)15(18)13-6-5-12(19-2)11-14(13)20-3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyODRZYWRPKMJSKT-UHFFFAOYSA-N
XLogP1.48
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,4-dimethoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone (CID 6464445) is (2,4-dimethoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone is COc1ccc(C(=O)N2CCCN(C)CC2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is ODRZYWRPKMJSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16-7-4-8-17(10-9-16)15(18)13-6-5-12(19-2)11-14(13)20-3/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of (2,4-dimethoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone?
(2,4-dimethoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 278.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 6464445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).