1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(4-ethenylphenyl)ethyl]urea

C21H23N3O2 — CID 167969216

IUPAC1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(4-ethenylphenyl)ethyl]urea
SMILESC=Cc1ccc(CCNC(=O)NCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H23N3O2/c1-2-16-7-9-17(10-8-16)11-13-22-21(26)23-15-20(25)24-14-12-18-5-3-4-6-19(18)24/h2-10H,1,11-15H2,(H2,22,23,26)
InChIKeyOLYORCGQPJVPFG-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.76
Rot. Bonds6

About 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(4-ethenylphenyl)ethyl]urea

1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(4-ethenylphenyl)ethyl]urea (PubChem CID 167969216) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(4-ethenylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(4-ethenylphenyl)ethyl]urea
PubChem CID167969216
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(4-ethenylphenyl)ethyl]urea
SMILESC=Cc1ccc(CCNC(=O)NCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H23N3O2/c1-2-16-7-9-17(10-8-16)11-13-22-21(26)23-15-20(25)24-14-12-18-5-3-4-6-19(18)24/h2-10H,1,11-15H2,(H2,22,23,26)
InChIKeyOLYORCGQPJVPFG-UHFFFAOYSA-N
XLogP2.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)urea
CID 46383502
1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea
CID 46383527
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 2453360
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone
CID 3191782
1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(2-phenylethyl)urea
CID 46383573
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111097758
4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride
CID 119315166
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110370754
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111589110
7-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]heptanamide
CID 119769035
4-(2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047845

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(4-ethenylphenyl)ethyl]urea?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(4-ethenylphenyl)ethyl]urea (CID 167969216) is 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(4-ethenylphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(4-ethenylphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(4-ethenylphenyl)ethyl]urea is C=Cc1ccc(CCNC(=O)NCC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(4-ethenylphenyl)ethyl]urea?
The InChIKey is OLYORCGQPJVPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-16-7-9-17(10-8-16)11-13-22-21(26)23-15-20(25)24-14-12-18-5-3-4-6-19(18)24/h2-10H,1,11-15H2,(H2,22,23,26).
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(4-ethenylphenyl)ethyl]urea?
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(4-ethenylphenyl)ethyl]urea has a molecular weight of 349.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(4-ethenylphenyl)ethyl]urea is sourced from PubChem (CID 167969216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).