3-(1H-indol-3-yl)-3-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide

C30H27N3O2 — CID 42804547

IUPAC3-(1H-indol-3-yl)-3-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CC(c1ccc(OCc2ccccc2)cc1)c1c[nH]c2ccccc12)NCc1cccnc1
InChIInChI=1S/C30H27N3O2/c34-30(33-19-23-9-6-16-31-18-23)17-27(28-20-32-29-11-5-4-10-26(28)29)24-12-14-25(15-13-24)35-21-22-7-2-1-3-8-22/h1-16,18,20,27,32H,17,19,21H2,(H,33,34)
InChIKeyLUWKGVMYHQHZFD-UHFFFAOYSA-N
MW461.57 g/mol
LogP5.98
Rot. Bonds9

About 3-(1H-indol-3-yl)-3-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide

3-(1H-indol-3-yl)-3-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 42804547) has the molecular formula C30H27N3O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-3-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-3-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID42804547
Molecular FormulaC30H27N3O2
Molecular Weight461.57 g/mol
Exact Mass461.21
IUPAC Name3-(1H-indol-3-yl)-3-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CC(c1ccc(OCc2ccccc2)cc1)c1c[nH]c2ccccc12)NCc1cccnc1
InChIInChI=1S/C30H27N3O2/c34-30(33-19-23-9-6-16-31-18-23)17-27(28-20-32-29-11-5-4-10-26(28)29)24-12-14-25(15-13-24)35-21-22-7-2-1-3-8-22/h1-16,18,20,27,32H,17,19,21H2,(H,33,34)
InChIKeyLUWKGVMYHQHZFD-UHFFFAOYSA-N
XLogP5.98
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 5226219
N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide
CID 46131344
3,3-diphenyl-N-(pyridin-3-ylmethyl)propanamide
CID 690534
3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 45194858
3-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 91634966
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 46132027
3-(4-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 42802173
1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294
N-[3-oxo-1-phenyl-3-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]benzamide
CID 55707958
N-(3,4-dimethylphenyl)-3-(1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide
CID 3548226
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 45142910

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-3-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-3-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide (CID 42804547) is 3-(1H-indol-3-yl)-3-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-3-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-3-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide is O=C(CC(c1ccc(OCc2ccccc2)cc1)c1c[nH]c2ccccc12)NCc1cccnc1.
What is the InChIKey of 3-(1H-indol-3-yl)-3-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is LUWKGVMYHQHZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O2/c34-30(33-19-23-9-6-16-31-18-23)17-27(28-20-32-29-11-5-4-10-26(28)29)24-12-14-25(15-13-24)35-21-22-7-2-1-3-8-22/h1-16,18,20,27,32H,17,19,21H2,(H,33,34).
What are the key properties of 3-(1H-indol-3-yl)-3-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide?
3-(1H-indol-3-yl)-3-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 461.57 g/mol, XLogP of 5.98, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-3-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 42804547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).