1-(4-hydroxy-2-methylbutyl)-3-(1-propylindol-6-yl)urea

C17H25N3O2 — CID 111474973

IUPAC1-(4-hydroxy-2-methylbutyl)-3-(1-propylindol-6-yl)urea
SMILESCCCn1ccc2ccc(NC(=O)NCC(C)CCO)cc21
InChIInChI=1S/C17H25N3O2/c1-3-8-20-9-6-14-4-5-15(11-16(14)20)19-17(22)18-12-13(2)7-10-21/h4-6,9,11,13,21H,3,7-8,10,12H2,1-2H3,(H2,18,19,22)
InChIKeySKLIKLCMFMHHSK-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.19
Rot. Bonds7

About 1-(4-hydroxy-2-methylbutyl)-3-(1-propylindol-6-yl)urea

1-(4-hydroxy-2-methylbutyl)-3-(1-propylindol-6-yl)urea (PubChem CID 111474973) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylbutyl)-3-(1-propylindol-6-yl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylbutyl)-3-(1-propylindol-6-yl)urea
PubChem CID111474973
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(4-hydroxy-2-methylbutyl)-3-(1-propylindol-6-yl)urea
SMILESCCCn1ccc2ccc(NC(=O)NCC(C)CCO)cc21
InChIInChI=1S/C17H25N3O2/c1-3-8-20-9-6-14-4-5-15(11-16(14)20)19-17(22)18-12-13(2)7-10-21/h4-6,9,11,13,21H,3,7-8,10,12H2,1-2H3,(H2,18,19,22)
InChIKeySKLIKLCMFMHHSK-UHFFFAOYSA-N
XLogP3.19
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3-methoxypropyl)-3-(1-propylindol-6-yl)urea
CID 111474971
2-methyl-3-(methylamino)-N-(1-propylindol-6-yl)propanamide;hydrochloride
CID 119797080
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(1-propylindol-6-yl)urea
CID 111474965
2-amino-N-(1-propylindol-6-yl)pentanamide;hydrochloride
CID 119331199
1-(1-ethylindol-6-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111474945
1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea
CID 110936400
1-(4-ethylphenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473009
2-amino-2-methyl-N-(1-propylindol-6-yl)propanamide
CID 119331183
1-(4-hydroxy-2-methylbutyl)-3-(2-methyl-1H-indol-5-yl)urea
CID 111474667
1-(1-ethylindol-6-yl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 111474953
2-amino-4-methylsulfonyl-N-(1-propylindol-6-yl)butanamide
CID 119957554
1-(3-bromo-4-chlorophenyl)-3-[(2R)-4-hydroxy-2-methylbutyl]urea
CID 97320276

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylbutyl)-3-(1-propylindol-6-yl)urea?
The IUPAC name of 1-(4-hydroxy-2-methylbutyl)-3-(1-propylindol-6-yl)urea (CID 111474973) is 1-(4-hydroxy-2-methylbutyl)-3-(1-propylindol-6-yl)urea.
What is the SMILES notation for 1-(4-hydroxy-2-methylbutyl)-3-(1-propylindol-6-yl)urea?
The canonical SMILES for 1-(4-hydroxy-2-methylbutyl)-3-(1-propylindol-6-yl)urea is CCCn1ccc2ccc(NC(=O)NCC(C)CCO)cc21.
What is the InChIKey of 1-(4-hydroxy-2-methylbutyl)-3-(1-propylindol-6-yl)urea?
The InChIKey is SKLIKLCMFMHHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-8-20-9-6-14-4-5-15(11-16(14)20)19-17(22)18-12-13(2)7-10-21/h4-6,9,11,13,21H,3,7-8,10,12H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-(4-hydroxy-2-methylbutyl)-3-(1-propylindol-6-yl)urea?
1-(4-hydroxy-2-methylbutyl)-3-(1-propylindol-6-yl)urea has a molecular weight of 303.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylbutyl)-3-(1-propylindol-6-yl)urea is sourced from PubChem (CID 111474973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).