1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea

C15H21N3O2 — CID 111108819

IUPAC1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea
SMILESO=C(NCCCO)NCCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O2/c19-10-4-9-17-15(20)16-8-3-5-12-11-18-14-7-2-1-6-13(12)14/h1-2,6-7,11,18-19H,3-5,8-10H2,(H2,16,17,20)
InChIKeyYLBPHNJFRKIYAH-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.78
Rot. Bonds7

About 1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea

1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea (PubChem CID 111108819) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea
PubChem CID111108819
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea
SMILESO=C(NCCCO)NCCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O2/c19-10-4-9-17-15(20)16-8-3-5-12-11-18-14-7-2-1-6-13(12)14/h1-2,6-7,11,18-19H,3-5,8-10H2,(H2,16,17,20)
InChIKeyYLBPHNJFRKIYAH-UHFFFAOYSA-N
XLogP1.78
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-hydroxypropyl)-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-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
1-(1-hydroxypentan-3-yl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111455371
1-(4-hydroxy-3-methylbutan-2-yl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111455373
1-(2-hydroxy-1-phenylethyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108824
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-[4-(1H-indol-3-yl)butyl]acetamide
CID 132534601
1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide
CID 119778812
1-[(3-hydroxythiolan-3-yl)methyl]-3-[3-(1H-indol-3-yl)propyl]urea
CID 111618840
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111508552
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111424366
1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
CID 110675938

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea (CID 111108819) is 1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea is O=C(NCCCO)NCCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea?
The InChIKey is YLBPHNJFRKIYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-10-4-9-17-15(20)16-8-3-5-12-11-18-14-7-2-1-6-13(12)14/h1-2,6-7,11,18-19H,3-5,8-10H2,(H2,16,17,20).
What are the key properties of 1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea?
1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea has a molecular weight of 275.35 g/mol, XLogP of 1.78, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea is sourced from PubChem (CID 111108819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).