3-(1-ethylindol-3-yl)-1,1-bis(2-methylpropyl)urea

C19H29N3O — CID 40519593

IUPAC3-(1-ethylindol-3-yl)-1,1-bis(2-methylpropyl)urea
SMILESCCn1cc(NC(=O)N(CC(C)C)CC(C)C)c2ccccc21
InChIInChI=1S/C19H29N3O/c1-6-21-13-17(16-9-7-8-10-18(16)21)20-19(23)22(11-14(2)3)12-15(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,20,23)
InChIKeyILJMZQJXCAKOBM-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.81
Rot. Bonds6

About 3-(1-ethylindol-3-yl)-1,1-bis(2-methylpropyl)urea

3-(1-ethylindol-3-yl)-1,1-bis(2-methylpropyl)urea (PubChem CID 40519593) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 3-(1-ethylindol-3-yl)-1,1-bis(2-methylpropyl)urea.

Molecular Properties

Compound Name3-(1-ethylindol-3-yl)-1,1-bis(2-methylpropyl)urea
PubChem CID40519593
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name3-(1-ethylindol-3-yl)-1,1-bis(2-methylpropyl)urea
SMILESCCn1cc(NC(=O)N(CC(C)C)CC(C)C)c2ccccc21
InChIInChI=1S/C19H29N3O/c1-6-21-13-17(16-9-7-8-10-18(16)21)20-19(23)22(11-14(2)3)12-15(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,20,23)
InChIKeyILJMZQJXCAKOBM-UHFFFAOYSA-N
XLogP4.81
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1-ethylindol-3-yl)-1,1-bis(2-methylpropyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-diethyl-3-(1-ethylindol-3-yl)urea
CID 40519589
1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea
CID 19835720
1-(2,3-dimethylphenyl)-3-(1-ethylindol-3-yl)urea
CID 40519720
3-(1-methylindol-3-yl)-1,1-dipropylurea
CID 40519468
3-(2-iodophenyl)-1,1-bis(2-methylpropyl)urea
CID 47258185
1-(4-ethoxyphenyl)-3-(1-ethylindol-3-yl)urea
CID 18582412
N-(1-ethylindol-3-yl)-2,6-dimethylmorpholine-4-carboxamide
CID 18582367
1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea
CID 40519863
1-(1-ethylindol-3-yl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 18582399
(2S)-N-(1-ethylindol-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 40519696
2-(1-ethylindol-3-yl)propanedioyl dichloride
CID 156786457
3-(2,6-dimethylphenyl)-1-[(9-ethylcarbazol-3-yl)methyl]-1-(2-methylpropyl)urea
CID 42696405

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylindol-3-yl)-1,1-bis(2-methylpropyl)urea?
The IUPAC name of 3-(1-ethylindol-3-yl)-1,1-bis(2-methylpropyl)urea (CID 40519593) is 3-(1-ethylindol-3-yl)-1,1-bis(2-methylpropyl)urea.
What is the SMILES notation for 3-(1-ethylindol-3-yl)-1,1-bis(2-methylpropyl)urea?
The canonical SMILES for 3-(1-ethylindol-3-yl)-1,1-bis(2-methylpropyl)urea is CCn1cc(NC(=O)N(CC(C)C)CC(C)C)c2ccccc21.
What is the InChIKey of 3-(1-ethylindol-3-yl)-1,1-bis(2-methylpropyl)urea?
The InChIKey is ILJMZQJXCAKOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-6-21-13-17(16-9-7-8-10-18(16)21)20-19(23)22(11-14(2)3)12-15(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,20,23).
What are the key properties of 3-(1-ethylindol-3-yl)-1,1-bis(2-methylpropyl)urea?
3-(1-ethylindol-3-yl)-1,1-bis(2-methylpropyl)urea has a molecular weight of 315.46 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylindol-3-yl)-1,1-bis(2-methylpropyl)urea is sourced from PubChem (CID 40519593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).