1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea

C19H21N3O3 — CID 7616000

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea
SMILESCOc1ccc(CCNC(=O)Nc2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C19H21N3O3/c1-24-17-8-7-13(11-18(17)25-2)9-10-20-19(23)22-16-12-21-15-6-4-3-5-14(15)16/h3-8,11-12,21H,9-10H2,1-2H3,(H2,20,22,23)
InChIKeyOMAYHWYYYONSJU-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.55
Rot. Bonds6

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea (PubChem CID 7616000) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea
PubChem CID7616000
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea
SMILESCOc1ccc(CCNC(=O)Nc2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C19H21N3O3/c1-24-17-8-7-13(11-18(17)25-2)9-10-20-19(23)22-16-12-21-15-6-4-3-5-14(15)16/h3-8,11-12,21H,9-10H2,1-2H3,(H2,20,22,23)
InChIKeyOMAYHWYYYONSJU-UHFFFAOYSA-N
XLogP3.55
TPSA75.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-ylsulfanyl)acetamide
CID 4608404
ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoate
CID 13352291
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111024611
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970730
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyphenyl)urea
CID 52593578
1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108867817
N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 55695694
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea
CID 4256084
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(ethoxymethyl)phenyl]urea
CID 60562580
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
3-(3,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 42774379
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108891346

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea (CID 7616000) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea is COc1ccc(CCNC(=O)Nc2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea?
The InChIKey is OMAYHWYYYONSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-24-17-8-7-13(11-18(17)25-2)9-10-20-19(23)22-16-12-21-15-6-4-3-5-14(15)16/h3-8,11-12,21H,9-10H2,1-2H3,(H2,20,22,23).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea?
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea has a molecular weight of 339.40 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea is sourced from PubChem (CID 7616000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).