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

C14H20N2O2 — CID 66937602

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-3-(4-hydroxybutyl)urea
SMILESO=C(NCCCCO)NC1Cc2ccccc2C1
InChIInChI=1S/C14H20N2O2/c17-8-4-3-7-15-14(18)16-13-9-11-5-1-2-6-12(11)10-13/h1-2,5-6,13,17H,3-4,7-10H2,(H2,15,16,18)
InChIKeyPTRPYLDQBWNHOP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.23
Rot. Bonds5

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

1-(2,3-dihydro-1H-inden-2-yl)-3-(4-hydroxybutyl)urea (PubChem CID 66937602) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-3-(4-hydroxybutyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-3-(4-hydroxybutyl)urea
PubChem CID66937602
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-3-(4-hydroxybutyl)urea
SMILESO=C(NCCCCO)NC1Cc2ccccc2C1
InChIInChI=1S/C14H20N2O2/c17-8-4-3-7-15-14(18)16-13-9-11-5-1-2-6-12(11)10-13/h1-2,5-6,13,17H,3-4,7-10H2,(H2,15,16,18)
InChIKeyPTRPYLDQBWNHOP-UHFFFAOYSA-N
XLogP1.23
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybutanamide
CID 2811036
1-(2,3-dihydro-1H-inden-2-yl)-3-(3-phenylpropyl)urea
CID 137649121
Urea, 1-butyl-3-(alpha-(hydroxymethyl)phenethyl)-
CID 205360
1-[(1R)-1-(hydroxymethyl)propyl]-3-phenethyl-urea
CID 38155643
1-(5-Hydroxy-4,4-dimethylpentyl)-3-(2-methyl-1,3-dihydroinden-2-yl)urea
CID 84593477
N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 118740678
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 71864356
1-[2-(4-Fluorophenyl)cyclopentyl]-3-(5-hydroxypentan-2-yl)urea
CID 71921523
N-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 91649471
1-[(2S)-1-hydroxybutan-2-yl]-3-[3-(2-methylphenyl)cyclobutyl]urea
CID 100688890
N-[2-(2-hydroxyethyl)cyclopentyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 121587668
1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(4-hydroxycyclohexyl)urea
CID 122132319

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(4-hydroxybutyl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(4-hydroxybutyl)urea (CID 66937602) is 1-(2,3-dihydro-1H-inden-2-yl)-3-(4-hydroxybutyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-3-(4-hydroxybutyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-3-(4-hydroxybutyl)urea is O=C(NCCCCO)NC1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-3-(4-hydroxybutyl)urea?
The InChIKey is PTRPYLDQBWNHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-8-4-3-7-15-14(18)16-13-9-11-5-1-2-6-12(11)10-13/h1-2,5-6,13,17H,3-4,7-10H2,(H2,15,16,18).
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-3-(4-hydroxybutyl)urea?
1-(2,3-dihydro-1H-inden-2-yl)-3-(4-hydroxybutyl)urea has a molecular weight of 248.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-3-(4-hydroxybutyl)urea is sourced from PubChem (CID 66937602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).