1-[2-(1H-indol-3-yl)ethyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea

C23H26N4O2 — CID 55697472

IUPAC1-[2-(1H-indol-3-yl)ethyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCc1cccc(C(=O)N2CCCC2)c1NC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H26N4O2/c1-16-7-6-9-19(22(28)27-13-4-5-14-27)21(16)26-23(29)24-12-11-17-15-25-20-10-3-2-8-18(17)20/h2-3,6-10,15,25H,4-5,11-14H2,1H3,(H2,24,26,29)
InChIKeyVPUDPJVVIMWIFV-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.08
Rot. Bonds5

About 1-[2-(1H-indol-3-yl)ethyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea

1-[2-(1H-indol-3-yl)ethyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea (PubChem CID 55697472) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea
PubChem CID55697472
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCc1cccc(C(=O)N2CCCC2)c1NC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H26N4O2/c1-16-7-6-9-19(22(28)27-13-4-5-14-27)21(16)26-23(29)24-12-11-17-15-25-20-10-3-2-8-18(17)20/h2-3,6-10,15,25H,4-5,11-14H2,1H3,(H2,24,26,29)
InChIKeyVPUDPJVVIMWIFV-UHFFFAOYSA-N
XLogP4.08
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 2238398
N-(2,6-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109766
[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363650
1-(azepan-1-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone
CID 109002313
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108532064
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylbenzoate
CID 9202567
1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108915571
1-[2-(1H-indol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108988276
1-[6-ethyl-5-(piperazine-1-carbonyl)-3-[(4-propylphenyl)methyl]-2-pyridinyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 143760483
N-(2,6-dimethylphenyl)-2-[4-[4-(1H-indol-3-yl)butanoyl]piperazin-1-yl]acetamide
CID 46655104
2-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108508463

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea (CID 55697472) is 1-[2-(1H-indol-3-yl)ethyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea is Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea?
The InChIKey is VPUDPJVVIMWIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-7-6-9-19(22(28)27-13-4-5-14-27)21(16)26-23(29)24-12-11-17-15-25-20-10-3-2-8-18(17)20/h2-3,6-10,15,25H,4-5,11-14H2,1H3,(H2,24,26,29).
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea?
1-[2-(1H-indol-3-yl)ethyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea has a molecular weight of 390.49 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 55697472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).