1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea

C17H24N2O4 — CID 71860491

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea
SMILESO=C(NCc1ccc2c(c1)OCO2)NC1(CCO)CCCCC1
InChIInChI=1S/C17H24N2O4/c20-9-8-17(6-2-1-3-7-17)19-16(21)18-11-13-4-5-14-15(10-13)23-12-22-14/h4-5,10,20H,1-3,6-9,11-12H2,(H2,18,19,21)
InChIKeyPOCADRZAJDJRSD-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.30
Rot. Bonds5

About 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea

1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea (PubChem CID 71860491) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea
PubChem CID71860491
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea
SMILESO=C(NCc1ccc2c(c1)OCO2)NC1(CCO)CCCCC1
InChIInChI=1S/C17H24N2O4/c20-9-8-17(6-2-1-3-7-17)19-16(21)18-11-13-4-5-14-15(10-13)23-12-22-14/h4-5,10,20H,1-3,6-9,11-12H2,(H2,18,19,21)
InChIKeyPOCADRZAJDJRSD-UHFFFAOYSA-N
XLogP2.30
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(1,3-benzodioxol-5-ylmethyl)cyclohexane-1-carboxamide
CID 39058403
1-amino-3-(1,3-benzodioxol-5-ylmethyl)urea
CID 62905779
N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide
CID 2810954
1-(1,3-benzodioxol-5-ylmethyl)-3-propylurea
CID 17277591
(2R)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)propanoic acid
CID 908999
2-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclohexene-1-carboxylic acid
CID 2812905
1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-chlorothiophen-2-yl)methyl]urea
CID 33410803
3-(1,3-benzodioxol-5-yl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
CID 114750923
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2125664
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2-hydroxyethyl)urea
CID 71894166
1-N'-(1,3-benzodioxol-5-ylmethyl)-1-N-benzylcyclopropane-1,1-dicarboxamide
CID 108974741
[1-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methanol
CID 81411910

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea (CID 71860491) is 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea is O=C(NCc1ccc2c(c1)OCO2)NC1(CCO)CCCCC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea?
The InChIKey is POCADRZAJDJRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c20-9-8-17(6-2-1-3-7-17)19-16(21)18-11-13-4-5-14-15(10-13)23-12-22-14/h4-5,10,20H,1-3,6-9,11-12H2,(H2,18,19,21).
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea?
1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea has a molecular weight of 320.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea is sourced from PubChem (CID 71860491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).