N-[3-(5-hydroxy-1H-indol-3-yl)propyl]benzamide

C18H18N2O2 — CID 18360710

IUPACN-[3-(5-hydroxy-1H-indol-3-yl)propyl]benzamide
SMILESO=C(NCCCc1c[nH]c2ccc(O)cc12)c1ccccc1
InChIInChI=1S/C18H18N2O2/c21-15-8-9-17-16(11-15)14(12-20-17)7-4-10-19-18(22)13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,20-21H,4,7,10H2,(H,19,22)
InChIKeyXQSDLYOJEYYSFN-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.24
Rot. Bonds5

About N-[3-(5-hydroxy-1H-indol-3-yl)propyl]benzamide

N-[3-(5-hydroxy-1H-indol-3-yl)propyl]benzamide (PubChem CID 18360710) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[3-(5-hydroxy-1H-indol-3-yl)propyl]benzamide.

Molecular Properties

Compound NameN-[3-(5-hydroxy-1H-indol-3-yl)propyl]benzamide
PubChem CID18360710
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[3-(5-hydroxy-1H-indol-3-yl)propyl]benzamide
SMILESO=C(NCCCc1c[nH]c2ccc(O)cc12)c1ccccc1
InChIInChI=1S/C18H18N2O2/c21-15-8-9-17-16(11-15)14(12-20-17)7-4-10-19-18(22)13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,20-21H,4,7,10H2,(H,19,22)
InChIKeyXQSDLYOJEYYSFN-UHFFFAOYSA-N
XLogP3.24
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide
CID 4144351
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[3-(1H-indol-3-yl)propyl]pyrimidine-5-carboxamide
CID 167952935
[2-[2-(5-hydroxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 118723540
3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142678890
4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
N-[3-[5-chloro-2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]phenyl]propyl]benzamide
CID 178037101
2-fluoro-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 168786739
N-[4-(3,5-dichlorophenyl)butyl]-2-[[2-(5-hydroxy-1H-indol-3-yl)ethylamino]methyl]benzamide
CID 23544291
1-(4-fluorophenyl)-4-(5-hydroxy-1H-indol-3-yl)butan-1-one
CID 157120975
N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 26933063
2-amino-N-[2-[[2-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
CID 3344323

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-hydroxy-1H-indol-3-yl)propyl]benzamide?
The IUPAC name of N-[3-(5-hydroxy-1H-indol-3-yl)propyl]benzamide (CID 18360710) is N-[3-(5-hydroxy-1H-indol-3-yl)propyl]benzamide.
What is the SMILES notation for N-[3-(5-hydroxy-1H-indol-3-yl)propyl]benzamide?
The canonical SMILES for N-[3-(5-hydroxy-1H-indol-3-yl)propyl]benzamide is O=C(NCCCc1c[nH]c2ccc(O)cc12)c1ccccc1.
What is the InChIKey of N-[3-(5-hydroxy-1H-indol-3-yl)propyl]benzamide?
The InChIKey is XQSDLYOJEYYSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-15-8-9-17-16(11-15)14(12-20-17)7-4-10-19-18(22)13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,20-21H,4,7,10H2,(H,19,22).
What are the key properties of N-[3-(5-hydroxy-1H-indol-3-yl)propyl]benzamide?
N-[3-(5-hydroxy-1H-indol-3-yl)propyl]benzamide has a molecular weight of 294.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-hydroxy-1H-indol-3-yl)propyl]benzamide is sourced from PubChem (CID 18360710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).