1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea

C19H21N3O3 — CID 95308044

IUPAC1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
SMILESO=C(NCC(=O)N1CCc2ccccc21)N[C@@H]1CCCc2occc21
InChIInChI=1S/C19H21N3O3/c23-18(22-10-8-13-4-1-2-6-16(13)22)12-20-19(24)21-15-5-3-7-17-14(15)9-11-25-17/h1-2,4,6,9,11,15H,3,5,7-8,10,12H2,(H2,20,21,24)/t15-/m1/s1
InChIKeyFJSLTKJGINKFCQ-OAHLLOKOSA-N
MW339.40 g/mol
LogP2.55
Rot. Bonds3

About 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea

1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea (PubChem CID 95308044) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
PubChem CID95308044
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
SMILESO=C(NCC(=O)N1CCc2ccccc21)N[C@@H]1CCCc2occc21
InChIInChI=1S/C19H21N3O3/c23-18(22-10-8-13-4-1-2-6-16(13)22)12-20-19(24)21-15-5-3-7-17-14(15)9-11-25-17/h1-2,4,6,9,11,15H,3,5,7-8,10,12H2,(H2,20,21,24)/t15-/m1/s1
InChIKeyFJSLTKJGINKFCQ-OAHLLOKOSA-N
XLogP2.55
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 941313
1-(2-phenoxyethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 86927702
1-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 112829842
1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea
CID 46383527
1-[(2S,3R)-2-cyclopropyloxolan-3-yl]-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]urea
CID 124880619
1-[(1,1-dioxothian-4-yl)methyl]-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 97244213
2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 60648595
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78882784
1-(2-hydroxycyclohexyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 110933290
5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 2453360
1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 86995051

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea (CID 95308044) is 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea is O=C(NCC(=O)N1CCc2ccccc21)N[C@@H]1CCCc2occc21.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea?
The InChIKey is FJSLTKJGINKFCQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-18(22-10-8-13-4-1-2-6-16(13)22)12-20-19(24)21-15-5-3-7-17-14(15)9-11-25-17/h1-2,4,6,9,11,15H,3,5,7-8,10,12H2,(H2,20,21,24)/t15-/m1/s1.
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea?
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea has a molecular weight of 339.40 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea is sourced from PubChem (CID 95308044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).