cyclohexyl-[4-(3,5-dihydroxybenzoyl)-1,4-diazepan-1-yl]methanone

C19H26N2O4 — CID 108544690

IUPACcyclohexyl-[4-(3,5-dihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(c1cc(O)cc(O)c1)N1CCCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C19H26N2O4/c22-16-11-15(12-17(23)13-16)19(25)21-8-4-7-20(9-10-21)18(24)14-5-2-1-3-6-14/h11-14,22-23H,1-10H2
InChIKeyILUOCIAVIPHOFM-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.35
Rot. Bonds2

About cyclohexyl-[4-(3,5-dihydroxybenzoyl)-1,4-diazepan-1-yl]methanone

cyclohexyl-[4-(3,5-dihydroxybenzoyl)-1,4-diazepan-1-yl]methanone (PubChem CID 108544690) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is cyclohexyl-[4-(3,5-dihydroxybenzoyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(3,5-dihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
PubChem CID108544690
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Namecyclohexyl-[4-(3,5-dihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(c1cc(O)cc(O)c1)N1CCCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C19H26N2O4/c22-16-11-15(12-17(23)13-16)19(25)21-8-4-7-20(9-10-21)18(24)14-5-2-1-3-6-14/h11-14,22-23H,1-10H2
InChIKeyILUOCIAVIPHOFM-UHFFFAOYSA-N
XLogP2.35
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 103891305
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446
cyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 108543908
cycloheptyl-[4-(1H-pyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 137336165
cyclohexyl-[4-(3,4,5-triethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108544633
1-(3,5-dihydroxybenzoyl)piperidine-3-carboxamide
CID 103891600
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
CID 110346969
cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110797847
cyclohexyl-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110801056

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(3,5-dihydroxybenzoyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(3,5-dihydroxybenzoyl)-1,4-diazepan-1-yl]methanone (CID 108544690) is cyclohexyl-[4-(3,5-dihydroxybenzoyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(3,5-dihydroxybenzoyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(3,5-dihydroxybenzoyl)-1,4-diazepan-1-yl]methanone is O=C(c1cc(O)cc(O)c1)N1CCCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[4-(3,5-dihydroxybenzoyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is ILUOCIAVIPHOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c22-16-11-15(12-17(23)13-16)19(25)21-8-4-7-20(9-10-21)18(24)14-5-2-1-3-6-14/h11-14,22-23H,1-10H2.
What are the key properties of cyclohexyl-[4-(3,5-dihydroxybenzoyl)-1,4-diazepan-1-yl]methanone?
cyclohexyl-[4-(3,5-dihydroxybenzoyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 346.43 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(3,5-dihydroxybenzoyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 108544690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).