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

C17H26N2O3 — CID 111508170

IUPAC1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
SMILESCCC(C)C(C)(O)CNC(=O)NC1CCc2c(O)cccc21
InChIInChI=1S/C17H26N2O3/c1-4-11(2)17(3,22)10-18-16(21)19-14-9-8-13-12(14)6-5-7-15(13)20/h5-7,11,14,20,22H,4,8-10H2,1-3H3,(H2,18,19,21)
InChIKeyKQRMKYXPJVMTOH-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.48
Rot. Bonds5

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

1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea (PubChem CID 111508170) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
PubChem CID111508170
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
SMILESCCC(C)C(C)(O)CNC(=O)NC1CCc2c(O)cccc21
InChIInChI=1S/C17H26N2O3/c1-4-11(2)17(3,22)10-18-16(21)19-14-9-8-13-12(14)6-5-7-15(13)20/h5-7,11,14,20,22H,4,8-10H2,1-3H3,(H2,18,19,21)
InChIKeyKQRMKYXPJVMTOH-UHFFFAOYSA-N
XLogP2.48
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 10236056
(1R)-1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 23645360
N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-N',N'-dipropylpentanediamide
CID 96482254
(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol
CID 97231606
1-(2-fluoroethyl)-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea
CID 25051267
N-(2-fluoroethyl)-N'-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 25051759
1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)urea
CID 59823913
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)urea
CID 166227910
1-[2-(3-fluorophenyl)-2-hydroxypropyl]-3-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)urea
CID 166255362
(1R)-1-(prop-2-enylamino)-2,3-dihydro-1H-inden-4-ol
CID 6102780
1-[1-(4-fluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43637032
1-[1-(3-fluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43637091

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea?
The IUPAC name of 1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea (CID 111508170) is 1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea.
What is the SMILES notation for 1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea?
The canonical SMILES for 1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea is CCC(C)C(C)(O)CNC(=O)NC1CCc2c(O)cccc21.
What is the InChIKey of 1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea?
The InChIKey is KQRMKYXPJVMTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-11(2)17(3,22)10-18-16(21)19-14-9-8-13-12(14)6-5-7-15(13)20/h5-7,11,14,20,22H,4,8-10H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea?
1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea has a molecular weight of 306.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea is sourced from PubChem (CID 111508170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).