1-(1-ethyl-2,3-dihydroindol-6-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea

C18H29N3O2 — CID 71992348

IUPAC1-(1-ethyl-2,3-dihydroindol-6-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
SMILESCCN1CCc2ccc(NC(=O)NCC(C)(C)CC(C)O)cc21
InChIInChI=1S/C18H29N3O2/c1-5-21-9-8-14-6-7-15(10-16(14)21)20-17(23)19-12-18(3,4)11-13(2)22/h6-7,10,13,22H,5,8-9,11-12H2,1-4H3,(H2,19,20,23)
InChIKeyLJMZJDRVZZQYNF-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.99
Rot. Bonds6

About 1-(1-ethyl-2,3-dihydroindol-6-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea

1-(1-ethyl-2,3-dihydroindol-6-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea (PubChem CID 71992348) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-(1-ethyl-2,3-dihydroindol-6-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea.

Molecular Properties

Compound Name1-(1-ethyl-2,3-dihydroindol-6-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
PubChem CID71992348
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-(1-ethyl-2,3-dihydroindol-6-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
SMILESCCN1CCc2ccc(NC(=O)NCC(C)(C)CC(C)O)cc21
InChIInChI=1S/C18H29N3O2/c1-5-21-9-8-14-6-7-15(10-16(14)21)20-17(23)19-12-18(3,4)11-13(2)22/h6-7,10,13,22H,5,8-9,11-12H2,1-4H3,(H2,19,20,23)
InChIKeyLJMZJDRVZZQYNF-UHFFFAOYSA-N
XLogP2.99
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-nitrophenyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111473101
1-(4-hydroxy-2,2-dimethylpentyl)-3-(3-propan-2-ylphenyl)urea
CID 111473397
1-(4-hydroxy-2,2-dimethylpentyl)-3-(3,4,5-trifluorophenyl)urea
CID 111475074
N-(1-ethyl-2,3-dihydroindol-6-yl)-1-methyl-2,3-dihydroindole-5-carboxamide
CID 154840394
1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111474913
1-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111475550
1-(2-methylpropyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386241
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-ethyl-2,3-dihydroindol-6-yl)butanamide
CID 84594643
N-(1-ethyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenoxy)acetamide
CID 166188945
N'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490702
(2R)-1-(cyclopropanecarbonyl)-N-(1-ethyl-2,3-dihydroindol-6-yl)pyrrolidine-2-carboxamide
CID 95158104
1-(4-hydroxy-2,2-dimethylpentyl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 71981490

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2,3-dihydroindol-6-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea?
The IUPAC name of 1-(1-ethyl-2,3-dihydroindol-6-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea (CID 71992348) is 1-(1-ethyl-2,3-dihydroindol-6-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea.
What is the SMILES notation for 1-(1-ethyl-2,3-dihydroindol-6-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea?
The canonical SMILES for 1-(1-ethyl-2,3-dihydroindol-6-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea is CCN1CCc2ccc(NC(=O)NCC(C)(C)CC(C)O)cc21.
What is the InChIKey of 1-(1-ethyl-2,3-dihydroindol-6-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea?
The InChIKey is LJMZJDRVZZQYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-5-21-9-8-14-6-7-15(10-16(14)21)20-17(23)19-12-18(3,4)11-13(2)22/h6-7,10,13,22H,5,8-9,11-12H2,1-4H3,(H2,19,20,23).
What are the key properties of 1-(1-ethyl-2,3-dihydroindol-6-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea?
1-(1-ethyl-2,3-dihydroindol-6-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea has a molecular weight of 319.45 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2,3-dihydroindol-6-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea is sourced from PubChem (CID 71992348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).