1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(2-hydroxy-1-phenylethyl)urea

C20H25N3O2 — CID 110895780

IUPAC1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(2-hydroxy-1-phenylethyl)urea
SMILESCC(CNC(=O)NC(CO)c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C20H25N3O2/c1-15(23-12-11-17-9-5-6-10-19(17)23)13-21-20(25)22-18(14-24)16-7-3-2-4-8-16/h2-10,15,18,24H,11-14H2,1H3,(H2,21,22,25)
InChIKeyGSVLRXVKICXGAI-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.47
Rot. Bonds6

About 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(2-hydroxy-1-phenylethyl)urea

1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(2-hydroxy-1-phenylethyl)urea (PubChem CID 110895780) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(2-hydroxy-1-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(2-hydroxy-1-phenylethyl)urea
PubChem CID110895780
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(2-hydroxy-1-phenylethyl)urea
SMILESCC(CNC(=O)NC(CO)c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C20H25N3O2/c1-15(23-12-11-17-9-5-6-10-19(17)23)13-21-20(25)22-18(14-24)16-7-3-2-4-8-16/h2-10,15,18,24H,11-14H2,1H3,(H2,21,22,25)
InChIKeyGSVLRXVKICXGAI-UHFFFAOYSA-N
XLogP2.47
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea
CID 78860902
1-(2-hydroxy-1-phenylethyl)-3-(2-morpholin-4-ylpropyl)urea
CID 87003592
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea
CID 112820237
3-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119953257
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-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-(2-methoxyphenyl)urea
CID 38887344
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111630627
(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
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-(2-hydroxy-1-phenylethyl)urea?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(2-hydroxy-1-phenylethyl)urea (CID 110895780) is 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(2-hydroxy-1-phenylethyl)urea.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(2-hydroxy-1-phenylethyl)urea?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(2-hydroxy-1-phenylethyl)urea is CC(CNC(=O)NC(CO)c1ccccc1)N1CCc2ccccc21.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(2-hydroxy-1-phenylethyl)urea?
The InChIKey is GSVLRXVKICXGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15(23-12-11-17-9-5-6-10-19(17)23)13-21-20(25)22-18(14-24)16-7-3-2-4-8-16/h2-10,15,18,24H,11-14H2,1H3,(H2,21,22,25).
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(2-hydroxy-1-phenylethyl)urea?
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(2-hydroxy-1-phenylethyl)urea has a molecular weight of 339.44 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 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-(2-hydroxy-1-phenylethyl)urea is sourced from PubChem (CID 110895780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).