1-(1,3-benzodioxol-5-yl)-3-(2-propan-2-ylphenyl)urea

C17H18N2O3 — CID 17375783

IUPAC1-(1,3-benzodioxol-5-yl)-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1NC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H18N2O3/c1-11(2)13-5-3-4-6-14(13)19-17(20)18-12-7-8-15-16(9-12)22-10-21-15/h3-9,11H,10H2,1-2H3,(H2,18,19,20)
InChIKeyPFGXPNGNOUKZLN-UHFFFAOYSA-N
MW298.34 g/mol
LogP4.18
Rot. Bonds3

About 1-(1,3-benzodioxol-5-yl)-3-(2-propan-2-ylphenyl)urea

1-(1,3-benzodioxol-5-yl)-3-(2-propan-2-ylphenyl)urea (PubChem CID 17375783) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-(2-propan-2-ylphenyl)urea
PubChem CID17375783
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1NC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H18N2O3/c1-11(2)13-5-3-4-6-14(13)19-17(20)18-12-7-8-15-16(9-12)22-10-21-15/h3-9,11H,10H2,1-2H3,(H2,18,19,20)
InChIKeyPFGXPNGNOUKZLN-UHFFFAOYSA-N
XLogP4.18
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-propan-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 669575
1-(1,3-benzodioxol-5-yl)-3-[1-(2-methylphenyl)ethyl]urea
CID 51301780
N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243805
1-(1,3-benzodioxol-5-yl)-3-[1-(2-chlorophenyl)ethyl]urea
CID 17182509
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 51244258
1-(1,3-benzodioxol-5-yl)-3-(2-phenoxyphenyl)urea
CID 17298589
(2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide
CID 94681442
(2S)-2-amino-N-(1,3-benzodioxol-5-yl)propanamide
CID 22690584
N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[2,6-di(propan-2-yl)phenyl]formamide
CID 22245855
1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea
CID 14545057
N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
CID 47299436
1-(1,3-benzodioxol-5-yl)-3-(3-hydroxyphenyl)urea
CID 108893703

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(2-propan-2-ylphenyl)urea (CID 17375783) is 1-(1,3-benzodioxol-5-yl)-3-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-(2-propan-2-ylphenyl)urea is CC(C)c1ccccc1NC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-(2-propan-2-ylphenyl)urea?
The InChIKey is PFGXPNGNOUKZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11(2)13-5-3-4-6-14(13)19-17(20)18-12-7-8-15-16(9-12)22-10-21-15/h3-9,11H,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-(2-propan-2-ylphenyl)urea?
1-(1,3-benzodioxol-5-yl)-3-(2-propan-2-ylphenyl)urea has a molecular weight of 298.34 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 17375783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).