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

C21H25N3O2 — CID 40519863

IUPAC1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea
SMILESCCN(C(=O)Nc1cn(CCOC)c2ccccc12)c1ccccc1C
InChIInChI=1S/C21H25N3O2/c1-4-24(19-11-7-5-9-16(19)2)21(25)22-18-15-23(13-14-26-3)20-12-8-6-10-17(18)20/h5-12,15H,4,13-14H2,1-3H3,(H,22,25)
InChIKeyINSWJXHKMABAPB-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.65
Rot. Bonds6

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

1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea (PubChem CID 40519863) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea
PubChem CID40519863
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea
SMILESCCN(C(=O)Nc1cn(CCOC)c2ccccc12)c1ccccc1C
InChIInChI=1S/C21H25N3O2/c1-4-24(19-11-7-5-9-16(19)2)21(25)22-18-15-23(13-14-26-3)20-12-8-6-10-17(18)20/h5-12,15H,4,13-14H2,1-3H3,(H,22,25)
InChIKeyINSWJXHKMABAPB-UHFFFAOYSA-N
XLogP4.65
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-diethyl-3-(1-ethylindol-3-yl)urea
CID 40519589
1-[1-(2-methoxyethyl)indol-3-yl]-3-(2,4,6-trimethylphenyl)urea
CID 18582507
1-benzyl-1-butyl-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519751
1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea
CID 40519790
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-(2-methoxy-5-methylphenyl)urea
CID 16803764
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
1-[1-(2-methoxyethyl)indol-3-yl]-3-(thiophen-2-ylmethyl)urea
CID 18582459
1-(2,3-dimethylphenyl)-3-(1-ethylindol-3-yl)urea
CID 40519720

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea?
The IUPAC name of 1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea (CID 40519863) is 1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea.
What is the SMILES notation for 1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea?
The canonical SMILES for 1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea is CCN(C(=O)Nc1cn(CCOC)c2ccccc12)c1ccccc1C.
What is the InChIKey of 1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea?
The InChIKey is INSWJXHKMABAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-4-24(19-11-7-5-9-16(19)2)21(25)22-18-15-23(13-14-26-3)20-12-8-6-10-17(18)20/h5-12,15H,4,13-14H2,1-3H3,(H,22,25).
What are the key properties of 1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea?
1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea has a molecular weight of 351.45 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea is sourced from PubChem (CID 40519863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).