1-cyclohexyl-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea

C18H26N2O3 — CID 110775706

IUPAC1-cyclohexyl-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea
SMILESO=C(NCCc1ccc2c(c1)OCCCO2)NC1CCCCC1
InChIInChI=1S/C18H26N2O3/c21-18(20-15-5-2-1-3-6-15)19-10-9-14-7-8-16-17(13-14)23-12-4-11-22-16/h7-8,13,15H,1-6,9-12H2,(H2,19,20,21)
InChIKeyDQVHOEXVNJHZMK-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.02
Rot. Bonds4

About 1-cyclohexyl-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea

1-cyclohexyl-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea (PubChem CID 110775706) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea
PubChem CID110775706
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-cyclohexyl-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea
SMILESO=C(NCCc1ccc2c(c1)OCCCO2)NC1CCCCC1
InChIInChI=1S/C18H26N2O3/c21-18(20-15-5-2-1-3-6-15)19-10-9-14-7-8-16-17(13-14)23-12-4-11-22-16/h7-8,13,15H,1-6,9-12H2,(H2,19,20,21)
InChIKeyDQVHOEXVNJHZMK-UHFFFAOYSA-N
XLogP3.02
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86944075
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33424384
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 122000432
N-(1,3-benzodioxol-5-ylmethyl)-3-(cyclohexylcarbamoylamino)-N-methylpropanamide
CID 16614852
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94177635
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 87000361
1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea
CID 110775638
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoazepan-3-yl)urea
CID 51083748
5-cyclohexylsulfinyl-N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]pentanamide
CID 129295790
3-[[N-[2-(1,3-benzodioxol-5-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-cyclopentylpropanamide;hydroiodide
CID 111381134
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509
1-cyclohexyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methylguanidine;hydroiodide
CID 110957567

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea (CID 110775706) is 1-cyclohexyl-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea is O=C(NCCc1ccc2c(c1)OCCCO2)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea?
The InChIKey is DQVHOEXVNJHZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-18(20-15-5-2-1-3-6-15)19-10-9-14-7-8-16-17(13-14)23-12-4-11-22-16/h7-8,13,15H,1-6,9-12H2,(H2,19,20,21).
What are the key properties of 1-cyclohexyl-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea?
1-cyclohexyl-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea has a molecular weight of 318.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea is sourced from PubChem (CID 110775706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).