1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea

C20H23N3O2 — CID 110911712

IUPAC1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea
SMILESO=C(NCCCn1ccc2ccccc21)NCc1ccccc1CO
InChIInChI=1S/C20H23N3O2/c24-15-18-8-2-1-7-17(18)14-22-20(25)21-11-5-12-23-13-10-16-6-3-4-9-19(16)23/h1-4,6-10,13,24H,5,11-12,14-15H2,(H2,21,22,25)
InChIKeyWDOLOBXHZMCQGF-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.02
Rot. Bonds7

About 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea

1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea (PubChem CID 110911712) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea
PubChem CID110911712
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea
SMILESO=C(NCCCn1ccc2ccccc21)NCc1ccccc1CO
InChIInChI=1S/C20H23N3O2/c24-15-18-8-2-1-7-17(18)14-22-20(25)21-11-5-12-23-13-10-16-6-3-4-9-19(16)23/h1-4,6-10,13,24H,5,11-12,14-15H2,(H2,21,22,25)
InChIKeyWDOLOBXHZMCQGF-UHFFFAOYSA-N
XLogP3.02
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(dimethylamino)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea
CID 52546228
1-benzyl-3-(2-indol-1-ylethyl)urea
CID 110748972
1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea
CID 112806234
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide
CID 94154350
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-indol-1-ylpropyl)urea
CID 55684226
2-[(3-indol-1-ylpropylamino)methyl]phenol
CID 28716078
1-hydroxy-N-(3-indol-1-ylpropyl)cyclopentane-1-carboxamide
CID 110907067
N-[2-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]phenyl]prop-2-enamide
CID 166420765
N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide
CID 62845640
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397
1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 110953617

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea?
The IUPAC name of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea (CID 110911712) is 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea.
What is the SMILES notation for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea?
The canonical SMILES for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea is O=C(NCCCn1ccc2ccccc21)NCc1ccccc1CO.
What is the InChIKey of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea?
The InChIKey is WDOLOBXHZMCQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-15-18-8-2-1-7-17(18)14-22-20(25)21-11-5-12-23-13-10-16-6-3-4-9-19(16)23/h1-4,6-10,13,24H,5,11-12,14-15H2,(H2,21,22,25).
What are the key properties of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea?
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea has a molecular weight of 337.42 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea is sourced from PubChem (CID 110911712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).