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

C14H20N2O — CID 17267646

IUPAC1-butyl-3-(2,3-dihydro-1H-inden-5-yl)urea
SMILESCCCCNC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C14H20N2O/c1-2-3-9-15-14(17)16-13-8-7-11-5-4-6-12(11)10-13/h7-8,10H,2-6,9H2,1H3,(H2,15,16,17)
InChIKeyPGTCCAKUQYYKBQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.10
Rot. Bonds4

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

1-butyl-3-(2,3-dihydro-1H-inden-5-yl)urea (PubChem CID 17267646) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-butyl-3-(2,3-dihydro-1H-inden-5-yl)urea.

Molecular Properties

Compound Name1-butyl-3-(2,3-dihydro-1H-inden-5-yl)urea
PubChem CID17267646
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-butyl-3-(2,3-dihydro-1H-inden-5-yl)urea
SMILESCCCCNC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C14H20N2O/c1-2-3-9-15-14(17)16-13-8-7-11-5-4-6-12(11)10-13/h7-8,10H,2-6,9H2,1H3,(H2,15,16,17)
InChIKeyPGTCCAKUQYYKBQ-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 63901957
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CID 17282136
1-butyl-3-(3-ethyl-4-methylphenyl)urea
CID 113356321
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CID 4569722
1-butyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea
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1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452821
1-(2,3-dihydro-1H-inden-5-yl)-3-(2-pyridin-2-ylethyl)urea
CID 47032533
1-(4-aminophenyl)-3-butylurea
CID 28785616
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
1-dodecyl-3-(1H-inden-5-yl)urea
CID 161336230
1-(4-butylphenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)urea
CID 44536218
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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2,3-dihydro-1H-inden-5-yl)urea?
The IUPAC name of 1-butyl-3-(2,3-dihydro-1H-inden-5-yl)urea (CID 17267646) is 1-butyl-3-(2,3-dihydro-1H-inden-5-yl)urea.
What is the SMILES notation for 1-butyl-3-(2,3-dihydro-1H-inden-5-yl)urea?
The canonical SMILES for 1-butyl-3-(2,3-dihydro-1H-inden-5-yl)urea is CCCCNC(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-butyl-3-(2,3-dihydro-1H-inden-5-yl)urea?
The InChIKey is PGTCCAKUQYYKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-3-9-15-14(17)16-13-8-7-11-5-4-6-12(11)10-13/h7-8,10H,2-6,9H2,1H3,(H2,15,16,17).
What are the key properties of 1-butyl-3-(2,3-dihydro-1H-inden-5-yl)urea?
1-butyl-3-(2,3-dihydro-1H-inden-5-yl)urea has a molecular weight of 232.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2,3-dihydro-1H-inden-5-yl)urea is sourced from PubChem (CID 17267646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).