1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea

C19H29N3O4 — CID 55520723

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea
SMILESCC(C)CC(CNC(=O)Nc1ccc2c(c1)OCCO2)N1CCOCC1
InChIInChI=1S/C19H29N3O4/c1-14(2)11-16(22-5-7-24-8-6-22)13-20-19(23)21-15-3-4-17-18(12-15)26-10-9-25-17/h3-4,12,14,16H,5-11,13H2,1-2H3,(H2,20,21,23)
InChIKeySDXJHGSCLPMMNP-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.33
Rot. Bonds6

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea (PubChem CID 55520723) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea
PubChem CID55520723
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea
SMILESCC(C)CC(CNC(=O)Nc1ccc2c(c1)OCCO2)N1CCOCC1
InChIInChI=1S/C19H29N3O4/c1-14(2)11-16(22-5-7-24-8-6-22)13-20-19(23)21-15-3-4-17-18(12-15)26-10-9-25-17/h3-4,12,14,16H,5-11,13H2,1-2H3,(H2,20,21,23)
InChIKeySDXJHGSCLPMMNP-UHFFFAOYSA-N
XLogP2.33
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]phenyl]acetamide
CID 55744114
methyl (2S)-2-[(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)methyl]-4-methylpentanoate
CID 95782828
4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]-N-prop-2-enylbenzamide
CID 55834797
1-[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]urea
CID 52518349
4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-methylbutanoic acid
CID 81066358
1-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-[(2R)-4-methyl-2-morpholin-4-ylpentyl]urea
CID 52516653
1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-3-propylurea
CID 102256223
N-(4-methyl-2-morpholin-4-ylpentyl)morpholine-4-carboxamide
CID 110403300
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043993
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835218
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2S)-2-morpholin-4-ylpropyl]urea
CID 94028425
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N'-(2-methylpropyl)propanediamide
CID 108958122

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea (CID 55520723) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea is CC(C)CC(CNC(=O)Nc1ccc2c(c1)OCCO2)N1CCOCC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea?
The InChIKey is SDXJHGSCLPMMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-14(2)11-16(22-5-7-24-8-6-22)13-20-19(23)21-15-3-4-17-18(12-15)26-10-9-25-17/h3-4,12,14,16H,5-11,13H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea has a molecular weight of 363.46 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea is sourced from PubChem (CID 55520723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).