3-(1H-indol-5-yl)-1,1-bis(2-methoxyethyl)urea

C15H21N3O3 — CID 56825813

IUPAC3-(1H-indol-5-yl)-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H21N3O3/c1-20-9-7-18(8-10-21-2)15(19)17-13-3-4-14-12(11-13)5-6-16-14/h3-6,11,16H,7-10H2,1-2H3,(H,17,19)
InChIKeyLKPDBTVYPYXRHE-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.29
Rot. Bonds7

About 3-(1H-indol-5-yl)-1,1-bis(2-methoxyethyl)urea

3-(1H-indol-5-yl)-1,1-bis(2-methoxyethyl)urea (PubChem CID 56825813) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)-1,1-bis(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-(1H-indol-5-yl)-1,1-bis(2-methoxyethyl)urea
PubChem CID56825813
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-(1H-indol-5-yl)-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H21N3O3/c1-20-9-7-18(8-10-21-2)15(19)17-13-3-4-14-12(11-13)5-6-16-14/h3-6,11,16H,7-10H2,1-2H3,(H,17,19)
InChIKeyLKPDBTVYPYXRHE-UHFFFAOYSA-N
XLogP2.29
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1H-indol-5-yl)-3-methoxypropanamide;hydrochloride
CID 120984992
N-(2-methoxyethyl)-1H-indol-5-amine
CID 82539811
3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea
CID 51324616
4-[bis(2-methoxyethyl)carbamoylamino]-2-chlorobenzenesulfonyl chloride
CID 45156351
1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
3-(1H-indol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
CID 125163368
1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea
CID 108867129
N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-2-carboxamide
CID 71702187
1-[(2-hydroxyphenyl)methyl]-3-(1H-indol-5-yl)-1-methylurea
CID 56801338
N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-6-carboxamide
CID 71754680
[(2R)-oxiran-2-yl]methyl N-(1H-indol-5-yl)carbamate
CID 57343440
3-(3-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 111431069

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-5-yl)-1,1-bis(2-methoxyethyl)urea?
The IUPAC name of 3-(1H-indol-5-yl)-1,1-bis(2-methoxyethyl)urea (CID 56825813) is 3-(1H-indol-5-yl)-1,1-bis(2-methoxyethyl)urea.
What is the SMILES notation for 3-(1H-indol-5-yl)-1,1-bis(2-methoxyethyl)urea?
The canonical SMILES for 3-(1H-indol-5-yl)-1,1-bis(2-methoxyethyl)urea is COCCN(CCOC)C(=O)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of 3-(1H-indol-5-yl)-1,1-bis(2-methoxyethyl)urea?
The InChIKey is LKPDBTVYPYXRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-20-9-7-18(8-10-21-2)15(19)17-13-3-4-14-12(11-13)5-6-16-14/h3-6,11,16H,7-10H2,1-2H3,(H,17,19).
What are the key properties of 3-(1H-indol-5-yl)-1,1-bis(2-methoxyethyl)urea?
3-(1H-indol-5-yl)-1,1-bis(2-methoxyethyl)urea has a molecular weight of 291.35 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yl)-1,1-bis(2-methoxyethyl)urea is sourced from PubChem (CID 56825813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).