1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea

C21H25N3O4 — CID 55833777

IUPAC1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
SMILESCC(NC(=O)Nc1ccccc1CN1CCOCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H25N3O4/c1-15(16-6-7-19-20(12-16)28-14-27-19)22-21(25)23-18-5-3-2-4-17(18)13-24-8-10-26-11-9-24/h2-7,12,15H,8-11,13-14H2,1H3,(H2,22,23,25)
InChIKeySAXAENWZUMIHCH-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.13
Rot. Bonds5

About 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea

1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea (PubChem CID 55833777) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
PubChem CID55833777
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
SMILESCC(NC(=O)Nc1ccccc1CN1CCOCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H25N3O4/c1-15(16-6-7-19-20(12-16)28-14-27-19)22-21(25)23-18-5-3-2-4-17(18)13-24-8-10-26-11-9-24/h2-7,12,15H,8-11,13-14H2,1H3,(H2,22,23,25)
InChIKeySAXAENWZUMIHCH-UHFFFAOYSA-N
XLogP3.13
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 94039006
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-ethylsulfanylphenyl)urea
CID 94156065
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 51077475
2-amino-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119859628
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 124594022
1-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-[(2R)-3-methylbutan-2-yl]urea
CID 38290576
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43675884
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-benzylurea
CID 17457631
1-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(3-chloro-2-methylsulfonylphenyl)urea
CID 96518157
(2R)-2-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-methylpentanamide
CID 104902772
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688433
1-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(4-ethylphenyl)urea
CID 26871510

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea?
The IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea (CID 55833777) is 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea?
The canonical SMILES for 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea is CC(NC(=O)Nc1ccccc1CN1CCOCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea?
The InChIKey is SAXAENWZUMIHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-15(16-6-7-19-20(12-16)28-14-27-19)22-21(25)23-18-5-3-2-4-17(18)13-24-8-10-26-11-9-24/h2-7,12,15H,8-11,13-14H2,1H3,(H2,22,23,25).
What are the key properties of 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea?
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea has a molecular weight of 383.45 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea is sourced from PubChem (CID 55833777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).