1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea

C20H23N3O3 — CID 16803764

IUPAC1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOCCn1cc(NC(=O)Nc2cc(C)ccc2OC)c2ccccc21
InChIInChI=1S/C20H23N3O3/c1-14-8-9-19(26-3)16(12-14)21-20(24)22-17-13-23(10-11-25-2)18-7-5-4-6-15(17)18/h4-9,12-13H,10-11H2,1-3H3,(H2,21,22,24)
InChIKeyILNCUCVVKVUMND-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.25
Rot. Bonds6

About 1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea

1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 16803764) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea
PubChem CID16803764
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOCCn1cc(NC(=O)Nc2cc(C)ccc2OC)c2ccccc21
InChIInChI=1S/C20H23N3O3/c1-14-8-9-19(26-3)16(12-14)21-20(24)22-17-13-23(10-11-25-2)18-7-5-4-6-15(17)18/h4-9,12-13H,10-11H2,1-3H3,(H2,21,22,24)
InChIKeyILNCUCVVKVUMND-UHFFFAOYSA-N
XLogP4.25
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methoxyethyl)indol-3-yl]-3-(2,4,6-trimethylphenyl)urea
CID 18582507
1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea
CID 40519790
N-(2-methoxy-5-methylphenyl)-1-methylindole-3-carboxamide
CID 9208634
ethyl 4-[[1-(2-methoxyethyl)indol-3-yl]carbamoylamino]benzoate
CID 40519874
1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519801
1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519808
1-[1-(2-methoxyethyl)indol-3-yl]-3-(thiophen-2-ylmethyl)urea
CID 18582459
N-(2-methoxy-5-methylphenyl)-1,3-dimethylindole-2-carboxamide
CID 113204445
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate
CID 24520196
3-bromo-N-(2-methoxy-5-methylphenyl)-1-methylindole-2-carboxamide
CID 55663937
1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea
CID 40519863
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea (CID 16803764) is 1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea is COCCn1cc(NC(=O)Nc2cc(C)ccc2OC)c2ccccc21.
What is the InChIKey of 1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is ILNCUCVVKVUMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-8-9-19(26-3)16(12-14)21-20(24)22-17-13-23(10-11-25-2)18-7-5-4-6-15(17)18/h4-9,12-13H,10-11H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea?
1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 353.42 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 16803764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).