1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea

C20H25N3O2 — CID 86880953

IUPAC1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1ccc2c(CCNC(=O)NC(C)c3cc(C)oc3C)c[nH]c2c1
InChIInChI=1S/C20H25N3O2/c1-12-5-6-17-16(11-22-19(17)9-12)7-8-21-20(24)23-14(3)18-10-13(2)25-15(18)4/h5-6,9-11,14,22H,7-8H2,1-4H3,(H2,21,23,24)
InChIKeyZMBCSQSNYICQKJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.29
Rot. Bonds5

About 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea

1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea (PubChem CID 86880953) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
PubChem CID86880953
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1ccc2c(CCNC(=O)NC(C)c3cc(C)oc3C)c[nH]c2c1
InChIInChI=1S/C20H25N3O2/c1-12-5-6-17-16(11-22-19(17)9-12)7-8-21-20(24)23-14(3)18-10-13(2)25-15(18)4/h5-6,9-11,14,22H,7-8H2,1-4H3,(H2,21,23,24)
InChIKeyZMBCSQSNYICQKJ-UHFFFAOYSA-N
XLogP4.29
TPSA70.06 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea with MolForge

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Related Compounds

1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 60597967
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 111505645
1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86875661
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-propan-2-ylguanidine;hydroiodide
CID 111127001
N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 82493176
1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea
CID 86875692
4-acetyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 51103594
4-(1-hydroxyethyl)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide
CID 111438569
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86875671
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880071
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea (CID 86880953) is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea is Cc1ccc2c(CCNC(=O)NC(C)c3cc(C)oc3C)c[nH]c2c1.
What is the InChIKey of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea?
The InChIKey is ZMBCSQSNYICQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-12-5-6-17-16(11-22-19(17)9-12)7-8-21-20(24)23-14(3)18-10-13(2)25-15(18)4/h5-6,9-11,14,22H,7-8H2,1-4H3,(H2,21,23,24).
What are the key properties of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea?
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea has a molecular weight of 339.44 g/mol, XLogP of 4.29, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 86880953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).