1-(2-hydroxy-1-phenylethyl)-3-[3-(1H-indol-3-yl)propyl]urea

C20H23N3O2 — CID 111108824

IUPAC1-(2-hydroxy-1-phenylethyl)-3-[3-(1H-indol-3-yl)propyl]urea
SMILESO=C(NCCCc1c[nH]c2ccccc12)NC(CO)c1ccccc1
InChIInChI=1S/C20H23N3O2/c24-14-19(15-7-2-1-3-8-15)23-20(25)21-12-6-9-16-13-22-18-11-5-4-10-17(16)18/h1-5,7-8,10-11,13,19,22,24H,6,9,12,14H2,(H2,21,23,25)
InChIKeyYRQXCKPPDGWNHO-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.13
Rot. Bonds7

About 1-(2-hydroxy-1-phenylethyl)-3-[3-(1H-indol-3-yl)propyl]urea

1-(2-hydroxy-1-phenylethyl)-3-[3-(1H-indol-3-yl)propyl]urea (PubChem CID 111108824) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)-3-[3-(1H-indol-3-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)-3-[3-(1H-indol-3-yl)propyl]urea
PubChem CID111108824
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-(2-hydroxy-1-phenylethyl)-3-[3-(1H-indol-3-yl)propyl]urea
SMILESO=C(NCCCc1c[nH]c2ccccc12)NC(CO)c1ccccc1
InChIInChI=1S/C20H23N3O2/c24-14-19(15-7-2-1-3-8-15)23-20(25)21-12-6-9-16-13-22-18-11-5-4-10-17(16)18/h1-5,7-8,10-11,13,19,22,24H,6,9,12,14H2,(H2,21,23,25)
InChIKeyYRQXCKPPDGWNHO-UHFFFAOYSA-N
XLogP3.13
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-hydroxy-1-phenylethyl)-3-[3-(1H-indol-3-yl)propyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-hydroxy-3-methylbutan-2-yl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111455373
1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108819
1-(1-hydroxypentan-3-yl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111455371
1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 59924188
1-butyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 94740192
N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide
CID 63182576
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
1-[2-hydroxy-1-(4-phenylphenyl)ethyl]-3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
CID 167829740
N-(2-hydroxy-1-phenylethyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 11109608
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
1-(4-hydroxy-2,2-dimethylpentyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111506107
N-[(1S)-2-hydroxy-1-phenylethyl]-2-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124861044

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-[3-(1H-indol-3-yl)propyl]urea?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-[3-(1H-indol-3-yl)propyl]urea (CID 111108824) is 1-(2-hydroxy-1-phenylethyl)-3-[3-(1H-indol-3-yl)propyl]urea.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)-3-[3-(1H-indol-3-yl)propyl]urea?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)-3-[3-(1H-indol-3-yl)propyl]urea is O=C(NCCCc1c[nH]c2ccccc12)NC(CO)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)-3-[3-(1H-indol-3-yl)propyl]urea?
The InChIKey is YRQXCKPPDGWNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-14-19(15-7-2-1-3-8-15)23-20(25)21-12-6-9-16-13-22-18-11-5-4-10-17(16)18/h1-5,7-8,10-11,13,19,22,24H,6,9,12,14H2,(H2,21,23,25).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)-3-[3-(1H-indol-3-yl)propyl]urea?
1-(2-hydroxy-1-phenylethyl)-3-[3-(1H-indol-3-yl)propyl]urea has a molecular weight of 337.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylethyl)-3-[3-(1H-indol-3-yl)propyl]urea is sourced from PubChem (CID 111108824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).