ethyl 4-[[1-(2-methoxyethyl)indol-3-yl]carbamoylamino]benzoate

C21H23N3O4 — CID 40519874

IUPACethyl 4-[[1-(2-methoxyethyl)indol-3-yl]carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2cn(CCOC)c3ccccc23)cc1
InChIInChI=1S/C21H23N3O4/c1-3-28-20(25)15-8-10-16(11-9-15)22-21(26)23-18-14-24(12-13-27-2)19-7-5-4-6-17(18)19/h4-11,14H,3,12-13H2,1-2H3,(H2,22,23,26)
InChIKeyWVKLNSFNJFIEBH-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.11
Rot. Bonds7

About ethyl 4-[[1-(2-methoxyethyl)indol-3-yl]carbamoylamino]benzoate

ethyl 4-[[1-(2-methoxyethyl)indol-3-yl]carbamoylamino]benzoate (PubChem CID 40519874) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is ethyl 4-[[1-(2-methoxyethyl)indol-3-yl]carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[1-(2-methoxyethyl)indol-3-yl]carbamoylamino]benzoate
PubChem CID40519874
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Nameethyl 4-[[1-(2-methoxyethyl)indol-3-yl]carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2cn(CCOC)c3ccccc23)cc1
InChIInChI=1S/C21H23N3O4/c1-3-28-20(25)15-8-10-16(11-9-15)22-21(26)23-18-14-24(12-13-27-2)19-7-5-4-6-17(18)19/h4-11,14H,3,12-13H2,1-2H3,(H2,22,23,26)
InChIKeyWVKLNSFNJFIEBH-UHFFFAOYSA-N
XLogP4.11
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-methoxyethyl)indol-3-yl]-3-(2,4,6-trimethylphenyl)urea
CID 18582507
1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519801
1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 16803764
ethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate
CID 108871366
ethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate
CID 17179913
ethyl 4-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
CID 108991621
1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea
CID 40519863
1-[1-(2-methoxyethyl)indol-3-yl]-3-(thiophen-2-ylmethyl)urea
CID 18582459
ethyl 4-(2-methoxyethylcarbamoylamino)benzoate
CID 47146237
ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
CID 108866989
ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate
CID 108992396
ethyl 4-[[2-(1-ethylindol-3-yl)sulfanylacetyl]amino]benzoate
CID 3420060

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(2-methoxyethyl)indol-3-yl]carbamoylamino]benzoate?
The IUPAC name of ethyl 4-[[1-(2-methoxyethyl)indol-3-yl]carbamoylamino]benzoate (CID 40519874) is ethyl 4-[[1-(2-methoxyethyl)indol-3-yl]carbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[[1-(2-methoxyethyl)indol-3-yl]carbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[[1-(2-methoxyethyl)indol-3-yl]carbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)Nc2cn(CCOC)c3ccccc23)cc1.
What is the InChIKey of ethyl 4-[[1-(2-methoxyethyl)indol-3-yl]carbamoylamino]benzoate?
The InChIKey is WVKLNSFNJFIEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-3-28-20(25)15-8-10-16(11-9-15)22-21(26)23-18-14-24(12-13-27-2)19-7-5-4-6-17(18)19/h4-11,14H,3,12-13H2,1-2H3,(H2,22,23,26).
What are the key properties of ethyl 4-[[1-(2-methoxyethyl)indol-3-yl]carbamoylamino]benzoate?
ethyl 4-[[1-(2-methoxyethyl)indol-3-yl]carbamoylamino]benzoate has a molecular weight of 381.43 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(2-methoxyethyl)indol-3-yl]carbamoylamino]benzoate is sourced from PubChem (CID 40519874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).