1-(1-ethylindol-6-yl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea

C18H27N3O3 — CID 111474953

IUPAC1-(1-ethylindol-6-yl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
SMILESCCn1ccc2ccc(NC(=O)NCC(O)COCC(C)C)cc21
InChIInChI=1S/C18H27N3O3/c1-4-21-8-7-14-5-6-15(9-17(14)21)20-18(23)19-10-16(22)12-24-11-13(2)3/h5-9,13,16,22H,4,10-12H2,1-3H3,(H2,19,20,23)
InChIKeyKRQATXSKBKWUEI-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.82
Rot. Bonds8

About 1-(1-ethylindol-6-yl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea

1-(1-ethylindol-6-yl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea (PubChem CID 111474953) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-(1-ethylindol-6-yl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea.

Molecular Properties

Compound Name1-(1-ethylindol-6-yl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
PubChem CID111474953
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-(1-ethylindol-6-yl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
SMILESCCn1ccc2ccc(NC(=O)NCC(O)COCC(C)C)cc21
InChIInChI=1S/C18H27N3O3/c1-4-21-8-7-14-5-6-15(9-17(14)21)20-18(23)19-10-16(22)12-24-11-13(2)3/h5-9,13,16,22H,4,10-12H2,1-3H3,(H2,19,20,23)
InChIKeyKRQATXSKBKWUEI-UHFFFAOYSA-N
XLogP2.82
TPSA75.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-3-methoxypropyl)-3-(1-propylindol-6-yl)urea
CID 111474971
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(1-propylindol-6-yl)urea
CID 111474965
1-(1-ethylindol-6-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 111446739
1-(4-hydroxy-2-methylbutyl)-3-(1-propylindol-6-yl)urea
CID 111474973
1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]urea
CID 87007209
1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(4-phenoxyphenyl)urea
CID 87007221
1-(1-ethylindol-6-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111474945
1-(1-ethyl-6-oxo-3-pyridinyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 110909824
N-(1-ethylindol-6-yl)pyrrolidine-1-carboxamide
CID 71874521
1-(1-ethylindol-6-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 86816676
N-[3-[(1R)-1-[[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]carbamoylamino]ethyl]phenyl]acetamide
CID 94060411
N-(2-hydroxy-4-methylpentyl)-N'-(1-methylindol-6-yl)oxamide
CID 111490471

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindol-6-yl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea?
The IUPAC name of 1-(1-ethylindol-6-yl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea (CID 111474953) is 1-(1-ethylindol-6-yl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea.
What is the SMILES notation for 1-(1-ethylindol-6-yl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea?
The canonical SMILES for 1-(1-ethylindol-6-yl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea is CCn1ccc2ccc(NC(=O)NCC(O)COCC(C)C)cc21.
What is the InChIKey of 1-(1-ethylindol-6-yl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea?
The InChIKey is KRQATXSKBKWUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-21-8-7-14-5-6-15(9-17(14)21)20-18(23)19-10-16(22)12-24-11-13(2)3/h5-9,13,16,22H,4,10-12H2,1-3H3,(H2,19,20,23).
What are the key properties of 1-(1-ethylindol-6-yl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea?
1-(1-ethylindol-6-yl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea has a molecular weight of 333.43 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindol-6-yl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea is sourced from PubChem (CID 111474953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).