1-benzyl-1-butyl-3-[1-(2-methoxyethyl)indol-3-yl]urea

C23H29N3O2 — CID 40519751

IUPAC1-benzyl-1-butyl-3-[1-(2-methoxyethyl)indol-3-yl]urea
SMILESCCCCN(Cc1ccccc1)C(=O)Nc1cn(CCOC)c2ccccc12
InChIInChI=1S/C23H29N3O2/c1-3-4-14-26(17-19-10-6-5-7-11-19)23(27)24-21-18-25(15-16-28-2)22-13-9-8-12-20(21)22/h5-13,18H,3-4,14-17H2,1-2H3,(H,24,27)
InChIKeySZLXYUICSSTWTL-UHFFFAOYSA-N
MW379.50 g/mol
LogP5.12
Rot. Bonds9

About 1-benzyl-1-butyl-3-[1-(2-methoxyethyl)indol-3-yl]urea

1-benzyl-1-butyl-3-[1-(2-methoxyethyl)indol-3-yl]urea (PubChem CID 40519751) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-benzyl-1-butyl-3-[1-(2-methoxyethyl)indol-3-yl]urea.

Molecular Properties

Compound Name1-benzyl-1-butyl-3-[1-(2-methoxyethyl)indol-3-yl]urea
PubChem CID40519751
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-benzyl-1-butyl-3-[1-(2-methoxyethyl)indol-3-yl]urea
SMILESCCCCN(Cc1ccccc1)C(=O)Nc1cn(CCOC)c2ccccc12
InChIInChI=1S/C23H29N3O2/c1-3-4-14-26(17-19-10-6-5-7-11-19)23(27)24-21-18-25(15-16-28-2)22-13-9-8-12-20(21)22/h5-13,18H,3-4,14-17H2,1-2H3,(H,24,27)
InChIKeySZLXYUICSSTWTL-UHFFFAOYSA-N
XLogP5.12
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea
CID 40519863
1,1-diethyl-3-(1-ethylindol-3-yl)urea
CID 40519589
1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea
CID 40519790
1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)urea
CID 47072864
3-(1-methylindol-3-yl)-1,1-dipropylurea
CID 40519468
1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519808
1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519801
1-benzyl-1-(2-methoxyethyl)-3-pentylurea
CID 86913997
1-[1-(2-methoxyethyl)indol-3-yl]-3-(2,4,6-trimethylphenyl)urea
CID 18582507
1-benzyl-1-(2-methoxyethyl)-3-(2-methylsulfanylphenyl)urea
CID 86987084
4-formyl-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide
CID 40519785
N-[1-(2-methoxyethyl)indol-3-yl]-4-methylpiperidine-1-carboxamide
CID 18582430

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-butyl-3-[1-(2-methoxyethyl)indol-3-yl]urea?
The IUPAC name of 1-benzyl-1-butyl-3-[1-(2-methoxyethyl)indol-3-yl]urea (CID 40519751) is 1-benzyl-1-butyl-3-[1-(2-methoxyethyl)indol-3-yl]urea.
What is the SMILES notation for 1-benzyl-1-butyl-3-[1-(2-methoxyethyl)indol-3-yl]urea?
The canonical SMILES for 1-benzyl-1-butyl-3-[1-(2-methoxyethyl)indol-3-yl]urea is CCCCN(Cc1ccccc1)C(=O)Nc1cn(CCOC)c2ccccc12.
What is the InChIKey of 1-benzyl-1-butyl-3-[1-(2-methoxyethyl)indol-3-yl]urea?
The InChIKey is SZLXYUICSSTWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-4-14-26(17-19-10-6-5-7-11-19)23(27)24-21-18-25(15-16-28-2)22-13-9-8-12-20(21)22/h5-13,18H,3-4,14-17H2,1-2H3,(H,24,27).
What are the key properties of 1-benzyl-1-butyl-3-[1-(2-methoxyethyl)indol-3-yl]urea?
1-benzyl-1-butyl-3-[1-(2-methoxyethyl)indol-3-yl]urea has a molecular weight of 379.50 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-butyl-3-[1-(2-methoxyethyl)indol-3-yl]urea is sourced from PubChem (CID 40519751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).