1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylpentyl)urea

C18H28N2O2 — CID 110024645

IUPAC1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylpentyl)urea
SMILESCc1ccc2c(c1)C(NC(=O)NCC(C)CC(C)O)C(C)C2
InChIInChI=1S/C18H28N2O2/c1-11-5-6-15-9-13(3)17(16(15)8-11)20-18(22)19-10-12(2)7-14(4)21/h5-6,8,12-14,17,21H,7,9-10H2,1-4H3,(H2,19,20,22)
InChIKeyLURRRYHKOUCQKO-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.93
Rot. Bonds5

About 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylpentyl)urea

1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylpentyl)urea (PubChem CID 110024645) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylpentyl)urea.

Molecular Properties

Compound Name1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylpentyl)urea
PubChem CID110024645
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylpentyl)urea
SMILESCc1ccc2c(c1)C(NC(=O)NCC(C)CC(C)O)C(C)C2
InChIInChI=1S/C18H28N2O2/c1-11-5-6-15-9-13(3)17(16(15)8-11)20-18(22)19-10-12(2)7-14(4)21/h5-6,8,12-14,17,21H,7,9-10H2,1-4H3,(H2,19,20,22)
InChIKeyLURRRYHKOUCQKO-UHFFFAOYSA-N
XLogP2.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2-pyridin-4-ylethyl)urea
CID 110024699
(2R)-1-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103949520
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 110024695
1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]urea
CID 124852589
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 75475378
4-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 120552413
1-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea
CID 124841753
(1R,2S)-N-(1-fluoroethyl)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 173049230
1-(4-hydroxy-2-methylpentyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 111455573
1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea
CID 111444676
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111115269
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452821

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylpentyl)urea?
The IUPAC name of 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylpentyl)urea (CID 110024645) is 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylpentyl)urea.
What is the SMILES notation for 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylpentyl)urea?
The canonical SMILES for 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylpentyl)urea is Cc1ccc2c(c1)C(NC(=O)NCC(C)CC(C)O)C(C)C2.
What is the InChIKey of 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylpentyl)urea?
The InChIKey is LURRRYHKOUCQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-11-5-6-15-9-13(3)17(16(15)8-11)20-18(22)19-10-12(2)7-14(4)21/h5-6,8,12-14,17,21H,7,9-10H2,1-4H3,(H2,19,20,22).
What are the key properties of 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylpentyl)urea?
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylpentyl)urea has a molecular weight of 304.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylpentyl)urea is sourced from PubChem (CID 110024645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).