1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea

C18H29N3O2 — CID 111504884

IUPAC1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea
SMILESCC(C)C(O)CCNC(=O)NCC(C)N1CCc2ccccc21
InChIInChI=1S/C18H29N3O2/c1-13(2)17(22)8-10-19-18(23)20-12-14(3)21-11-9-15-6-4-5-7-16(15)21/h4-7,13-14,17,22H,8-12H2,1-3H3,(H2,19,20,23)
InChIKeyXPOVVJGOIZKNFK-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.14
Rot. Bonds7

About 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea

1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea (PubChem CID 111504884) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea
PubChem CID111504884
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea
SMILESCC(C)C(O)CCNC(=O)NCC(C)N1CCc2ccccc21
InChIInChI=1S/C18H29N3O2/c1-13(2)17(22)8-10-19-18(23)20-12-14(3)21-11-9-15-6-4-5-7-16(15)21/h4-7,13-14,17,22H,8-12H2,1-3H3,(H2,19,20,23)
InChIKeyXPOVVJGOIZKNFK-UHFFFAOYSA-N
XLogP2.14
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea
CID 112820237
(2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide
CID 94028724
1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea
CID 99823439
4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride
CID 120564829
1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-(2-methoxyphenyl)urea
CID 38887344
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895780
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea
CID 78860902
1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea
CID 38887286
(3S)-1-acetyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 51725598
2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride
CID 119946701
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-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111630627

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea (CID 111504884) is 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea is CC(C)C(O)CCNC(=O)NCC(C)N1CCc2ccccc21.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea?
The InChIKey is XPOVVJGOIZKNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-13(2)17(22)8-10-19-18(23)20-12-14(3)21-11-9-15-6-4-5-7-16(15)21/h4-7,13-14,17,22H,8-12H2,1-3H3,(H2,19,20,23).
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea?
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea has a molecular weight of 319.45 g/mol, XLogP of 2.14, 7 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-(3-hydroxy-4-methylpentyl)urea is sourced from PubChem (CID 111504884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).