1-[3-(1H-indol-3-yl)propyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea

C18H25N3O2 — CID 95616346

IUPAC1-[3-(1H-indol-3-yl)propyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
SMILESC[C@H](NC(=O)NCCCc1c[nH]c2ccccc12)[C@H]1CCCO1
InChIInChI=1S/C18H25N3O2/c1-13(17-9-5-11-23-17)21-18(22)19-10-4-6-14-12-20-16-8-3-2-7-15(14)16/h2-3,7-8,12-13,17,20H,4-6,9-11H2,1H3,(H2,19,21,22)/t13-,17+/m0/s1
InChIKeyKILADXBYLKUTAN-SUMWQHHRSA-N
MW315.42 g/mol
LogP2.97
Rot. Bonds6

About 1-[3-(1H-indol-3-yl)propyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea

1-[3-(1H-indol-3-yl)propyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea (PubChem CID 95616346) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[3-(1H-indol-3-yl)propyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-[3-(1H-indol-3-yl)propyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
PubChem CID95616346
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[3-(1H-indol-3-yl)propyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
SMILESC[C@H](NC(=O)NCCCc1c[nH]c2ccccc12)[C@H]1CCCO1
InChIInChI=1S/C18H25N3O2/c1-13(17-9-5-11-23-17)21-18(22)19-10-4-6-14-12-20-16-8-3-2-7-15(14)16/h2-3,7-8,12-13,17,20H,4-6,9-11H2,1H3,(H2,19,21,22)/t13-,17+/m0/s1
InChIKeyKILADXBYLKUTAN-SUMWQHHRSA-N
XLogP2.97
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-(1H-indol-3-yl)propyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]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

3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 35220767
1-(4-hydroxy-3-methylbutan-2-yl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111455373
1-(1-hydroxypentan-3-yl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111455371
1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108819
1-(2-hydroxy-1-phenylethyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108824
N-[3-(1H-indol-3-yl)propyl]pyrrolidine-2-carboxamide
CID 119320797
1-(4-hydroxy-2,2-dimethylpentyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111506107
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 94031387
N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide
CID 108943642
1-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-[3-(1H-indol-3-yl)propyl]urea
CID 86899681
N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112993944
N-[4-(1H-indol-3-yl)butyl]acetamide
CID 132534601

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-3-yl)propyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The IUPAC name of 1-[3-(1H-indol-3-yl)propyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea (CID 95616346) is 1-[3-(1H-indol-3-yl)propyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea.
What is the SMILES notation for 1-[3-(1H-indol-3-yl)propyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The canonical SMILES for 1-[3-(1H-indol-3-yl)propyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea is C[C@H](NC(=O)NCCCc1c[nH]c2ccccc12)[C@H]1CCCO1.
What is the InChIKey of 1-[3-(1H-indol-3-yl)propyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The InChIKey is KILADXBYLKUTAN-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(17-9-5-11-23-17)21-18(22)19-10-4-6-14-12-20-16-8-3-2-7-15(14)16/h2-3,7-8,12-13,17,20H,4-6,9-11H2,1H3,(H2,19,21,22)/t13-,17+/m0/s1.
What are the key properties of 1-[3-(1H-indol-3-yl)propyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea?
1-[3-(1H-indol-3-yl)propyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea has a molecular weight of 315.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indol-3-yl)propyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea is sourced from PubChem (CID 95616346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).