1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea

C18H28N2O2 — CID 111506246

IUPAC1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
SMILESCC1Cc2ccccc2C1NC(=O)NCCCC(C)(C)CO
InChIInChI=1S/C18H28N2O2/c1-13-11-14-7-4-5-8-15(14)16(13)20-17(22)19-10-6-9-18(2,3)12-21/h4-5,7-8,13,16,21H,6,9-12H2,1-3H3,(H2,19,20,22)
InChIKeyOIWZAMMPWKYAJD-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.02
Rot. Bonds6

About 1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea

1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 111506246) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID111506246
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
SMILESCC1Cc2ccccc2C1NC(=O)NCCCC(C)(C)CO
InChIInChI=1S/C18H28N2O2/c1-13-11-14-7-4-5-8-15(14)16(13)20-17(22)19-10-6-9-18(2,3)12-21/h4-5,7-8,13,16,21H,6,9-12H2,1-3H3,(H2,19,20,22)
InChIKeyOIWZAMMPWKYAJD-UHFFFAOYSA-N
XLogP3.02
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.02
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

1-(2-hydroxyethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111116927
1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 25051108
1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111121271
1-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 97094926
tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965
1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-phenylethyl)urea
CID 11694780
1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea
CID 96562833
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-[methyl(methylsulfonyl)amino]propyl]urea
CID 51092812
1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methylcyclohexyl)urea
CID 111503873
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-phenylethyl)urea
CID 75266020
3-hydroxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3-phenylbutanamide
CID 110025348

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea (CID 111506246) is 1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea is CC1Cc2ccccc2C1NC(=O)NCCCC(C)(C)CO.
What is the InChIKey of 1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is OIWZAMMPWKYAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13-11-14-7-4-5-8-15(14)16(13)20-17(22)19-10-6-9-18(2,3)12-21/h4-5,7-8,13,16,21H,6,9-12H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea?
1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 304.43 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 111506246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).