1-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)urea

C18H20N2O3 — CID 969986

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)CCC3)c(OC)c1
InChIInChI=1S/C18H20N2O3/c1-22-15-8-9-16(17(11-15)23-2)20-18(21)19-14-7-6-12-4-3-5-13(12)10-14/h6-11H,3-5H2,1-2H3,(H2,19,20,21)
InChIKeySDYPONVFAGCTQS-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.84
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)urea

1-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)urea (PubChem CID 969986) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)urea
PubChem CID969986
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)CCC3)c(OC)c1
InChIInChI=1S/C18H20N2O3/c1-22-15-8-9-16(17(11-15)23-2)20-18(21)19-14-7-6-12-4-3-5-13(12)10-14/h6-11H,3-5H2,1-2H3,(H2,19,20,21)
InChIKeySDYPONVFAGCTQS-UHFFFAOYSA-N
XLogP3.84
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187208
1-(2,4-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375576
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea
CID 29038554
1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea
CID 2209592
1-(2,4-dimethoxyphenyl)-3-(1-methyl-2-oxo-3H-indol-5-yl)urea
CID 30375715
1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea
CID 17378932
(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 7749728
1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991641
1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2,4-dimethoxyphenyl)urea
CID 30376842
2-[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide
CID 18097226
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,4-dimethoxyphenyl)benzamide
CID 3898001
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 2710612

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)urea (CID 969986) is 1-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc3c(c2)CCC3)c(OC)c1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)urea?
The InChIKey is SDYPONVFAGCTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-15-8-9-16(17(11-15)23-2)20-18(21)19-14-7-6-12-4-3-5-13(12)10-14/h6-11H,3-5H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)urea?
1-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)urea has a molecular weight of 312.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)urea is sourced from PubChem (CID 969986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).