cyclopropyl-[4-(2,4-dimethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]methanone

C19H26N2O4 — CID 110806504

IUPACcyclopropyl-[4-(2,4-dimethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCN(C(=O)C3CC3)CC2)c(OC)c1C
InChIInChI=1S/C19H26N2O4/c1-13-16(24-2)8-7-15(17(13)25-3)19(23)21-10-4-9-20(11-12-21)18(22)14-5-6-14/h7-8,14H,4-6,9-12H2,1-3H3
InChIKeyQDZOXYNCICUOEY-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.10
Rot. Bonds4

About cyclopropyl-[4-(2,4-dimethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]methanone

cyclopropyl-[4-(2,4-dimethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]methanone (PubChem CID 110806504) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is cyclopropyl-[4-(2,4-dimethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(2,4-dimethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
PubChem CID110806504
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Namecyclopropyl-[4-(2,4-dimethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCN(C(=O)C3CC3)CC2)c(OC)c1C
InChIInChI=1S/C19H26N2O4/c1-13-16(24-2)8-7-15(17(13)25-3)19(23)21-10-4-9-20(11-12-21)18(22)14-5-6-14/h7-8,14H,4-6,9-12H2,1-3H3
InChIKeyQDZOXYNCICUOEY-UHFFFAOYSA-N
XLogP2.10
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[4-(2,4-dimethoxy-3-methylbenzoyl)-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

Related Compounds

azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone
CID 110763192
ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate
CID 110763374
cyclopropyl-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797012
(2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 110763337
cyclopropyl-[4-(2-methoxy-3,5-dimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806493
cyclopentyl-[4-(2-methoxy-4,5-dimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807493
ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-3-carboxylate
CID 110763375
azocan-1-yl-(2,3,4-trimethoxyphenyl)methanone
CID 78771101
cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807480
[4-(2,4-dimethoxy-3-methylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815445
cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110801029
cyclopentyl-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807483

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(2,4-dimethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(2,4-dimethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]methanone (CID 110806504) is cyclopropyl-[4-(2,4-dimethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(2,4-dimethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(2,4-dimethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]methanone is COc1ccc(C(=O)N2CCCN(C(=O)C3CC3)CC2)c(OC)c1C.
What is the InChIKey of cyclopropyl-[4-(2,4-dimethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is QDZOXYNCICUOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13-16(24-2)8-7-15(17(13)25-3)19(23)21-10-4-9-20(11-12-21)18(22)14-5-6-14/h7-8,14H,4-6,9-12H2,1-3H3.
What are the key properties of cyclopropyl-[4-(2,4-dimethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]methanone?
cyclopropyl-[4-(2,4-dimethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 346.43 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2,4-dimethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 110806504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).