1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea

C14H20N2O — CID 110774865

IUPAC1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea
SMILESCCCNC(=O)NCc1ccc2c(c1)CCC2
InChIInChI=1S/C14H20N2O/c1-2-8-15-14(17)16-10-11-6-7-12-4-3-5-13(12)9-11/h6-7,9H,2-5,8,10H2,1H3,(H2,15,16,17)
InChIKeyJORNSLXUDOFJCK-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.38
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea

1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea (PubChem CID 110774865) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea
PubChem CID110774865
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea
SMILESCCCNC(=O)NCc1ccc2c(c1)CCC2
InChIInChI=1S/C14H20N2O/c1-2-8-15-14(17)16-10-11-6-7-12-4-3-5-13(12)9-11/h6-7,9H,2-5,8,10H2,1H3,(H2,15,16,17)
InChIKeyJORNSLXUDOFJCK-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea
CID 110775002
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 78882437
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(ethylamino)acetamide
CID 115157865
1-(1,3-benzodioxol-5-ylmethyl)-3-propylurea
CID 17277591
1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea
CID 110775432
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(propylcarbamoyl)acetamide
CID 7642995
2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)acetamide
CID 82495806
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 78879228
1-butyl-3-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylguanidine
CID 111150084
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-sulfanylpropanamide
CID 115167829
1-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopropane-1-carboxamide
CID 115182209

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea (CID 110774865) is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea is CCCNC(=O)NCc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea?
The InChIKey is JORNSLXUDOFJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-8-15-14(17)16-10-11-6-7-12-4-3-5-13(12)9-11/h6-7,9H,2-5,8,10H2,1H3,(H2,15,16,17).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea?
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea has a molecular weight of 232.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea is sourced from PubChem (CID 110774865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).