1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea

C19H20N4O — CID 38887286

IUPAC1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea
SMILESC[C@@H](CNC(=O)Nc1ccc(C#N)cc1)N1CCc2ccccc21
InChIInChI=1S/C19H20N4O/c1-14(23-11-10-16-4-2-3-5-18(16)23)13-21-19(24)22-17-8-6-15(12-20)7-9-17/h2-9,14H,10-11,13H2,1H3,(H2,21,22,24)/t14-/m0/s1
InChIKeyZULYJTHFKLOCHX-AWEZNQCLSA-N
MW320.40 g/mol
LogP3.13
Rot. Bonds4

About 1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea

1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea (PubChem CID 38887286) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea
PubChem CID38887286
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea
SMILESC[C@@H](CNC(=O)Nc1ccc(C#N)cc1)N1CCc2ccccc21
InChIInChI=1S/C19H20N4O/c1-14(23-11-10-16-4-2-3-5-18(16)23)13-21-19(24)22-17-8-6-15(12-20)7-9-17/h2-9,14H,10-11,13H2,1H3,(H2,21,22,24)/t14-/m0/s1
InChIKeyZULYJTHFKLOCHX-AWEZNQCLSA-N
XLogP3.13
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-(2-methoxyphenyl)urea
CID 38887344
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea
CID 78860902
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
1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 97087349
(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
1-(4-cyanophenyl)-3-[2-methyl-3-(methylamino)propyl]urea
CID 113282530
2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride
CID 119946701
1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-3-(2-methylpropyl)urea
CID 60613753
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111630627
N-[2-(2,3-dihydroindol-1-yl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120644013

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea?
The IUPAC name of 1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea (CID 38887286) is 1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea is C[C@@H](CNC(=O)Nc1ccc(C#N)cc1)N1CCc2ccccc21.
What is the InChIKey of 1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea?
The InChIKey is ZULYJTHFKLOCHX-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14(23-11-10-16-4-2-3-5-18(16)23)13-21-19(24)22-17-8-6-15(12-20)7-9-17/h2-9,14H,10-11,13H2,1H3,(H2,21,22,24)/t14-/m0/s1.
What are the key properties of 1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea?
1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea has a molecular weight of 320.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea is sourced from PubChem (CID 38887286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).