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

C27H29N3O3 — CID 92876005

IUPAC1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C27H29N3O3/c1-4-18-9-5-7-11-23(18)30-27(31)29-16-21(19-13-14-25(32-2)26(15-19)33-3)22-17-28-24-12-8-6-10-20(22)24/h5-15,17,21,28H,4,16H2,1-3H3,(H2,29,30,31)/t21-/m1/s1
InChIKeyHCYJUCNUBDRAEX-OAQYLSRUSA-N
MW443.55 g/mol
LogP5.70
Rot. Bonds8

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

1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-ethylphenyl)urea (PubChem CID 92876005) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-ethylphenyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-ethylphenyl)urea
PubChem CID92876005
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C27H29N3O3/c1-4-18-9-5-7-11-23(18)30-27(31)29-16-21(19-13-14-25(32-2)26(15-19)33-3)22-17-28-24-12-8-6-10-20(22)24/h5-15,17,21,28H,4,16H2,1-3H3,(H2,29,30,31)/t21-/m1/s1
InChIKeyHCYJUCNUBDRAEX-OAQYLSRUSA-N
XLogP5.70
TPSA75.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]carbamoylamino]benzoate
CID 46354806
1-(2,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]urea
CID 46354820
1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)urea
CID 92892911
N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 29204635
1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea
CID 92892882
1-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47014420
4-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
CID 46521063
1-(2,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea
CID 92875953
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 92876039
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 60606874
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119692889
1-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801474

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-ethylphenyl)urea?
The IUPAC name of 1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-ethylphenyl)urea (CID 92876005) is 1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-ethylphenyl)urea.
What is the SMILES notation for 1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-ethylphenyl)urea?
The canonical SMILES for 1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-ethylphenyl)urea is CCc1ccccc1NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)c1c[nH]c2ccccc12.
What is the InChIKey of 1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-ethylphenyl)urea?
The InChIKey is HCYJUCNUBDRAEX-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-4-18-9-5-7-11-23(18)30-27(31)29-16-21(19-13-14-25(32-2)26(15-19)33-3)22-17-28-24-12-8-6-10-20(22)24/h5-15,17,21,28H,4,16H2,1-3H3,(H2,29,30,31)/t21-/m1/s1.
What are the key properties of 1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-ethylphenyl)urea?
1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-ethylphenyl)urea has a molecular weight of 443.55 g/mol, XLogP of 5.70, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-ethylphenyl)urea is sourced from PubChem (CID 92876005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).