1-(2,3-dihydro-1-benzofuran-7-yl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea

C20H21N3O2 — CID 166246628

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1cccc2[nH]cc(CCNC(=O)Nc3cccc4c3OCC4)c12
InChIInChI=1S/C20H21N3O2/c1-13-4-2-6-16-18(13)15(12-22-16)8-10-21-20(24)23-17-7-3-5-14-9-11-25-19(14)17/h2-7,12,22H,8-11H2,1H3,(H2,21,23,24)
InChIKeyDTMWSBIJERVDBF-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.78
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-7-yl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea

1-(2,3-dihydro-1-benzofuran-7-yl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea (PubChem CID 166246628) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
PubChem CID166246628
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1cccc2[nH]cc(CCNC(=O)Nc3cccc4c3OCC4)c12
InChIInChI=1S/C20H21N3O2/c1-13-4-2-6-16-18(13)15(12-22-16)8-10-21-20(24)23-17-7-3-5-14-9-11-25-19(14)17/h2-7,12,22H,8-11H2,1H3,(H2,21,23,24)
InChIKeyDTMWSBIJERVDBF-UHFFFAOYSA-N
XLogP3.78
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1-benzofuran-7-yl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea with MolForge

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea
CID 110874645
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
CID 111435148
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 2238398
2-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774518
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 119774498
1-hydroxy-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 110932725
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 119318274
1-benzyl-3-(2,3-dihydro-1-benzofuran-7-yl)urea
CID 110874643
3-(2-aminophenyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 120610465
4-(aminomethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]oxane-4-carboxamide
CID 120931113
4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide
CID 119774506
(2R)-2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]morpholine-4-carboxamide
CID 95760502

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea (CID 166246628) is 1-(2,3-dihydro-1-benzofuran-7-yl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea is Cc1cccc2[nH]cc(CCNC(=O)Nc3cccc4c3OCC4)c12.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea?
The InChIKey is DTMWSBIJERVDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-4-2-6-16-18(13)15(12-22-16)8-10-21-20(24)23-17-7-3-5-14-9-11-25-19(14)17/h2-7,12,22H,8-11H2,1H3,(H2,21,23,24).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea?
1-(2,3-dihydro-1-benzofuran-7-yl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea has a molecular weight of 335.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 166246628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).