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

C20H24N2O2 — CID 5221280

IUPAC1-(4-butoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
SMILESCCCCOc1ccc(NC(=O)NC2CCc3ccccc32)cc1
InChIInChI=1S/C20H24N2O2/c1-2-3-14-24-17-11-9-16(10-12-17)21-20(23)22-19-13-8-15-6-4-5-7-18(15)19/h4-7,9-12,19H,2-3,8,13-14H2,1H3,(H2,21,22,23)
InChIKeyVIYCXBTWOFPHLQ-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.67
Rot. Bonds6

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

1-(4-butoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 5221280) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
PubChem CID5221280
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-(4-butoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
SMILESCCCCOc1ccc(NC(=O)NC2CCc3ccccc32)cc1
InChIInChI=1S/C20H24N2O2/c1-2-3-14-24-17-11-9-16(10-12-17)21-20(23)22-19-13-8-15-6-4-5-7-18(15)19/h4-7,9-12,19H,2-3,8,13-14H2,1H3,(H2,21,22,23)
InChIKeyVIYCXBTWOFPHLQ-UHFFFAOYSA-N
XLogP4.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-butoxy-4-methoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 71462943
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-butoxybenzoate
CID 2585306
N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide
CID 23624796
N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43191383
1-cyclopentyl-3-(4-propoxyphenyl)urea
CID 110774502
1-(4-fluorophenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 26848239
1-(4-fluorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 26848241
2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11890821
2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11890819
1-(4-butoxyphenyl)-3-methylurea
CID 127511148
1-(2,3-dihydro-1H-inden-1-yl)-3-(3-methylsulfanylphenyl)urea
CID 4508008
N-(2,3-dihydro-1H-inden-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 51273592

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-(4-butoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea (CID 5221280) is 1-(4-butoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-(4-butoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-(4-butoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea is CCCCOc1ccc(NC(=O)NC2CCc3ccccc32)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is VIYCXBTWOFPHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-3-14-24-17-11-9-16(10-12-17)21-20(23)22-19-13-8-15-6-4-5-7-18(15)19/h4-7,9-12,19H,2-3,8,13-14H2,1H3,(H2,21,22,23).
What are the key properties of 1-(4-butoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea?
1-(4-butoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 324.42 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 5221280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).