1-(3-hydroxy-4-methylpentyl)-3-[2-(1H-indol-3-yl)ethyl]urea

C17H25N3O2 — CID 111503815

IUPAC1-(3-hydroxy-4-methylpentyl)-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESCC(C)C(O)CCNC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H25N3O2/c1-12(2)16(21)8-10-19-17(22)18-9-7-13-11-20-15-6-4-3-5-14(13)15/h3-6,11-12,16,20-21H,7-10H2,1-2H3,(H2,18,19,22)
InChIKeyDPFDJAOENHGETI-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.42
Rot. Bonds7

About 1-(3-hydroxy-4-methylpentyl)-3-[2-(1H-indol-3-yl)ethyl]urea

1-(3-hydroxy-4-methylpentyl)-3-[2-(1H-indol-3-yl)ethyl]urea (PubChem CID 111503815) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methylpentyl)-3-[2-(1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-hydroxy-4-methylpentyl)-3-[2-(1H-indol-3-yl)ethyl]urea
PubChem CID111503815
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(3-hydroxy-4-methylpentyl)-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESCC(C)C(O)CCNC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H25N3O2/c1-12(2)16(21)8-10-19-17(22)18-9-7-13-11-20-15-6-4-3-5-14(13)15/h3-6,11-12,16,20-21H,7-10H2,1-2H3,(H2,18,19,22)
InChIKeyDPFDJAOENHGETI-UHFFFAOYSA-N
XLogP2.42
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
CID 110675938
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
1-[2-(1H-indol-3-yl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871937
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
1-N-[2-(1H-indol-3-yl)ethyl]-1-N'-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108978254
(2S,3S)-2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-3-methylpentanoic acid
CID 25427179
1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972233
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide
CID 20668757
2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide
CID 90754390

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methylpentyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-(3-hydroxy-4-methylpentyl)-3-[2-(1H-indol-3-yl)ethyl]urea (CID 111503815) is 1-(3-hydroxy-4-methylpentyl)-3-[2-(1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(3-hydroxy-4-methylpentyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-(3-hydroxy-4-methylpentyl)-3-[2-(1H-indol-3-yl)ethyl]urea is CC(C)C(O)CCNC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-(3-hydroxy-4-methylpentyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The InChIKey is DPFDJAOENHGETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(2)16(21)8-10-19-17(22)18-9-7-13-11-20-15-6-4-3-5-14(13)15/h3-6,11-12,16,20-21H,7-10H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-(3-hydroxy-4-methylpentyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
1-(3-hydroxy-4-methylpentyl)-3-[2-(1H-indol-3-yl)ethyl]urea has a molecular weight of 303.41 g/mol, XLogP of 2.42, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methylpentyl)-3-[2-(1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 111503815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).