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

C17H25N3O2 — CID 111455371

IUPAC1-(1-hydroxypentan-3-yl)-3-[3-(1H-indol-3-yl)propyl]urea
SMILESCCC(CCO)NC(=O)NCCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H25N3O2/c1-2-14(9-11-21)20-17(22)18-10-5-6-13-12-19-16-8-4-3-7-15(13)16/h3-4,7-8,12,14,19,21H,2,5-6,9-11H2,1H3,(H2,18,20,22)
InChIKeyNCVKSWROLLRQFD-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.56
Rot. Bonds8

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

1-(1-hydroxypentan-3-yl)-3-[3-(1H-indol-3-yl)propyl]urea (PubChem CID 111455371) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(1-hydroxypentan-3-yl)-3-[3-(1H-indol-3-yl)propyl]urea.

Molecular Properties

Compound Name1-(1-hydroxypentan-3-yl)-3-[3-(1H-indol-3-yl)propyl]urea
PubChem CID111455371
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(1-hydroxypentan-3-yl)-3-[3-(1H-indol-3-yl)propyl]urea
SMILESCCC(CCO)NC(=O)NCCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H25N3O2/c1-2-14(9-11-21)20-17(22)18-10-5-6-13-12-19-16-8-4-3-7-15(13)16/h3-4,7-8,12,14,19,21H,2,5-6,9-11H2,1H3,(H2,18,20,22)
InChIKeyNCVKSWROLLRQFD-UHFFFAOYSA-N
XLogP2.56
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108819
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
1-[3-(1H-indol-3-yl)propyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95616346
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
(2S,3S)-2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-3-methylpentanoic acid
CID 25427179
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
N-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 115767429
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
N-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide
CID 110902772
1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 111443445

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypentan-3-yl)-3-[3-(1H-indol-3-yl)propyl]urea?
The IUPAC name of 1-(1-hydroxypentan-3-yl)-3-[3-(1H-indol-3-yl)propyl]urea (CID 111455371) is 1-(1-hydroxypentan-3-yl)-3-[3-(1H-indol-3-yl)propyl]urea.
What is the SMILES notation for 1-(1-hydroxypentan-3-yl)-3-[3-(1H-indol-3-yl)propyl]urea?
The canonical SMILES for 1-(1-hydroxypentan-3-yl)-3-[3-(1H-indol-3-yl)propyl]urea is CCC(CCO)NC(=O)NCCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-(1-hydroxypentan-3-yl)-3-[3-(1H-indol-3-yl)propyl]urea?
The InChIKey is NCVKSWROLLRQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-14(9-11-21)20-17(22)18-10-5-6-13-12-19-16-8-4-3-7-15(13)16/h3-4,7-8,12,14,19,21H,2,5-6,9-11H2,1H3,(H2,18,20,22).
What are the key properties of 1-(1-hydroxypentan-3-yl)-3-[3-(1H-indol-3-yl)propyl]urea?
1-(1-hydroxypentan-3-yl)-3-[3-(1H-indol-3-yl)propyl]urea has a molecular weight of 303.41 g/mol, XLogP of 2.56, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypentan-3-yl)-3-[3-(1H-indol-3-yl)propyl]urea is sourced from PubChem (CID 111455371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).