1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea

C21H27N3O2 — CID 78860902

IUPAC1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1C(C)NC(=O)NCC(C)N1CCc2ccccc21
InChIInChI=1S/C21H27N3O2/c1-15(24-13-12-17-8-4-6-10-19(17)24)14-22-21(25)23-16(2)18-9-5-7-11-20(18)26-3/h4-11,15-16H,12-14H2,1-3H3,(H2,22,23,25)
InChIKeyAHWKZGPKTSKFAU-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.51
Rot. Bonds6

About 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea

1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea (PubChem CID 78860902) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea
PubChem CID78860902
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1C(C)NC(=O)NCC(C)N1CCc2ccccc21
InChIInChI=1S/C21H27N3O2/c1-15(24-13-12-17-8-4-6-10-19(17)24)14-22-21(25)23-16(2)18-9-5-7-11-20(18)26-3/h4-11,15-16H,12-14H2,1-3H3,(H2,22,23,25)
InChIKeyAHWKZGPKTSKFAU-UHFFFAOYSA-N
XLogP3.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea with MolForge

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Related Compounds

1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-(2-methoxyphenyl)urea
CID 38887344
N-[2-(2,3-dihydroindol-1-yl)propyl]-2-hydroxy-3-methoxybenzamide
CID 112819645
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895780
1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea
CID 38887286
1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 97087349
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111504884
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea
CID 112820237
N-[2-(2,3-dihydroindol-1-yl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120644013
(2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide
CID 94028724
4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride
CID 120564829
3-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119953257
2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride
CID 119946701

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea (CID 78860902) is 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea is COc1ccccc1C(C)NC(=O)NCC(C)N1CCc2ccccc21.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea?
The InChIKey is AHWKZGPKTSKFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15(24-13-12-17-8-4-6-10-19(17)24)14-22-21(25)23-16(2)18-9-5-7-11-20(18)26-3/h4-11,15-16H,12-14H2,1-3H3,(H2,22,23,25).
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea?
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea has a molecular weight of 353.47 g/mol, XLogP of 3.51, 6 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)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 78860902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).