N-(3,4-dimethylphenyl)-3-(1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide

C32H30N2O2 — CID 3548226

IUPACN-(3,4-dimethylphenyl)-3-(1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide
SMILESCc1ccc(NC(=O)CC(c2cccc(OCc3ccccc3)c2)c2c[nH]c3ccccc23)cc1C
InChIInChI=1S/C32H30N2O2/c1-22-15-16-26(17-23(22)2)34-32(35)19-29(30-20-33-31-14-7-6-13-28(30)31)25-11-8-12-27(18-25)36-21-24-9-4-3-5-10-24/h3-18,20,29,33H,19,21H2,1-2H3,(H,34,35)
InChIKeyOLRLARXRFPYSJX-UHFFFAOYSA-N
MW474.60 g/mol
LogP7.52
Rot. Bonds8

About N-(3,4-dimethylphenyl)-3-(1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide

N-(3,4-dimethylphenyl)-3-(1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide (PubChem CID 3548226) has the molecular formula C32H30N2O2 and a molecular weight of 474.60 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide
PubChem CID3548226
Molecular FormulaC32H30N2O2
Molecular Weight474.60 g/mol
Exact Mass474.23
IUPAC NameN-(3,4-dimethylphenyl)-3-(1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide
SMILESCc1ccc(NC(=O)CC(c2cccc(OCc3ccccc3)c2)c2c[nH]c3ccccc23)cc1C
InChIInChI=1S/C32H30N2O2/c1-22-15-16-26(17-23(22)2)34-32(35)19-29(30-20-33-31-14-7-6-13-28(30)31)25-11-8-12-27(18-25)36-21-24-9-4-3-5-10-24/h3-18,20,29,33H,19,21H2,1-2H3,(H,34,35)
InChIKeyOLRLARXRFPYSJX-UHFFFAOYSA-N
XLogP7.52
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 57.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide
CID 4622416
3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(4-methylphenyl)propanamide
CID 3422452
3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanoic acid
CID 42774239
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide
CID 35129958
3-(1H-indol-3-yl)-3-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 42804547
N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 1132550
N-ethoxy-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide
CID 3537942
3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one
CID 102170720
3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 5226219
3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 42802261
(3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one
CID 50901902
4-oxo-N-(3-phenylmethoxyphenyl)-1H-quinoline-3-carboxamide
CID 137464807

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide (CID 3548226) is N-(3,4-dimethylphenyl)-3-(1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide is Cc1ccc(NC(=O)CC(c2cccc(OCc3ccccc3)c2)c2c[nH]c3ccccc23)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide?
The InChIKey is OLRLARXRFPYSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O2/c1-22-15-16-26(17-23(22)2)34-32(35)19-29(30-20-33-31-14-7-6-13-28(30)31)25-11-8-12-27(18-25)36-21-24-9-4-3-5-10-24/h3-18,20,29,33H,19,21H2,1-2H3,(H,34,35).
What are the key properties of N-(3,4-dimethylphenyl)-3-(1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide?
N-(3,4-dimethylphenyl)-3-(1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide has a molecular weight of 474.60 g/mol, XLogP of 7.52, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 3548226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).