N-[1-hydroxy-2-(1H-indol-3-yl)ethyl]-5-(3-phenylphenyl)-2-propoxybenzamide

C32H30N2O3 — CID 143405655

IUPACN-[1-hydroxy-2-(1H-indol-3-yl)ethyl]-5-(3-phenylphenyl)-2-propoxybenzamide
SMILESCCCOc1ccc(-c2cccc(-c3ccccc3)c2)cc1C(=O)NC(O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C32H30N2O3/c1-2-17-37-30-16-15-25(24-12-8-11-23(18-24)22-9-4-3-5-10-22)19-28(30)32(36)34-31(35)20-26-21-33-29-14-7-6-13-27(26)29/h3-16,18-19,21,31,33,35H,2,17,20H2,1H3,(H,34,36)
InChIKeyQTZOIWNZIBIIBU-UHFFFAOYSA-N
MW490.60 g/mol
LogP6.58
Rot. Bonds9

About N-[1-hydroxy-2-(1H-indol-3-yl)ethyl]-5-(3-phenylphenyl)-2-propoxybenzamide

N-[1-hydroxy-2-(1H-indol-3-yl)ethyl]-5-(3-phenylphenyl)-2-propoxybenzamide (PubChem CID 143405655) has the molecular formula C32H30N2O3 and a molecular weight of 490.60 g/mol. Its IUPAC name is N-[1-hydroxy-2-(1H-indol-3-yl)ethyl]-5-(3-phenylphenyl)-2-propoxybenzamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(1H-indol-3-yl)ethyl]-5-(3-phenylphenyl)-2-propoxybenzamide
PubChem CID143405655
Molecular FormulaC32H30N2O3
Molecular Weight490.60 g/mol
Exact Mass490.23
IUPAC NameN-[1-hydroxy-2-(1H-indol-3-yl)ethyl]-5-(3-phenylphenyl)-2-propoxybenzamide
SMILESCCCOc1ccc(-c2cccc(-c3ccccc3)c2)cc1C(=O)NC(O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C32H30N2O3/c1-2-17-37-30-16-15-25(24-12-8-11-23(18-24)22-9-4-3-5-10-22)19-28(30)32(36)34-31(35)20-26-21-33-29-14-7-6-13-27(26)29/h3-16,18-19,21,31,33,35H,2,17,20H2,1H3,(H,34,36)
InChIKeyQTZOIWNZIBIIBU-UHFFFAOYSA-N
XLogP6.58
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 56.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(hydroxymethyl)phenyl]-2-propoxybenzamide
CID 58832033
4-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-4-propoxyphenyl]benzoic acid;molecular hydrogen
CID 162055148
N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-(3-methylsulfonylphenyl)-2-propoxybenzamide
CID 71206131
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(methanesulfonamido)phenyl]-2-propoxybenzamide
CID 58831906
2-ethoxy-5-(3-fluoro-4-propoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 58832069
5-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide
CID 58832137
5-(2,3-difluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide
CID 58832141
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxy-5-quinolin-6-ylbenzamide
CID 58831865
5-(6-fluoro-5-methyl-3-pyridinyl)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide
CID 71204912
5-(1-benzothiophen-3-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide
CID 58832046
5-(3-chlorophenyl)-2-ethoxy-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 58832162
5-(3-acetylphenyl)-2-ethoxy-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 71215129

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(1H-indol-3-yl)ethyl]-5-(3-phenylphenyl)-2-propoxybenzamide?
The IUPAC name of N-[1-hydroxy-2-(1H-indol-3-yl)ethyl]-5-(3-phenylphenyl)-2-propoxybenzamide (CID 143405655) is N-[1-hydroxy-2-(1H-indol-3-yl)ethyl]-5-(3-phenylphenyl)-2-propoxybenzamide.
What is the SMILES notation for N-[1-hydroxy-2-(1H-indol-3-yl)ethyl]-5-(3-phenylphenyl)-2-propoxybenzamide?
The canonical SMILES for N-[1-hydroxy-2-(1H-indol-3-yl)ethyl]-5-(3-phenylphenyl)-2-propoxybenzamide is CCCOc1ccc(-c2cccc(-c3ccccc3)c2)cc1C(=O)NC(O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[1-hydroxy-2-(1H-indol-3-yl)ethyl]-5-(3-phenylphenyl)-2-propoxybenzamide?
The InChIKey is QTZOIWNZIBIIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O3/c1-2-17-37-30-16-15-25(24-12-8-11-23(18-24)22-9-4-3-5-10-22)19-28(30)32(36)34-31(35)20-26-21-33-29-14-7-6-13-27(26)29/h3-16,18-19,21,31,33,35H,2,17,20H2,1H3,(H,34,36).
What are the key properties of N-[1-hydroxy-2-(1H-indol-3-yl)ethyl]-5-(3-phenylphenyl)-2-propoxybenzamide?
N-[1-hydroxy-2-(1H-indol-3-yl)ethyl]-5-(3-phenylphenyl)-2-propoxybenzamide has a molecular weight of 490.60 g/mol, XLogP of 6.58, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(1H-indol-3-yl)ethyl]-5-(3-phenylphenyl)-2-propoxybenzamide is sourced from PubChem (CID 143405655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).