N-(4-ethylphenyl)-2-(4-phenylmethoxyindol-1-yl)propanamide

C26H26N2O2 — CID 84573039

IUPACN-(4-ethylphenyl)-2-(4-phenylmethoxyindol-1-yl)propanamide
SMILESCCc1ccc(NC(=O)C(C)n2ccc3c(OCc4ccccc4)cccc32)cc1
InChIInChI=1S/C26H26N2O2/c1-3-20-12-14-22(15-13-20)27-26(29)19(2)28-17-16-23-24(28)10-7-11-25(23)30-18-21-8-5-4-6-9-21/h4-17,19H,3,18H2,1-2H3,(H,27,29)
InChIKeyKFNIYIIKRUNQHI-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.98
Rot. Bonds7

About N-(4-ethylphenyl)-2-(4-phenylmethoxyindol-1-yl)propanamide

N-(4-ethylphenyl)-2-(4-phenylmethoxyindol-1-yl)propanamide (PubChem CID 84573039) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(4-phenylmethoxyindol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(4-phenylmethoxyindol-1-yl)propanamide
PubChem CID84573039
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC NameN-(4-ethylphenyl)-2-(4-phenylmethoxyindol-1-yl)propanamide
SMILESCCc1ccc(NC(=O)C(C)n2ccc3c(OCc4ccccc4)cccc32)cc1
InChIInChI=1S/C26H26N2O2/c1-3-20-12-14-22(15-13-20)27-26(29)19(2)28-17-16-23-24(28)10-7-11-25(23)30-18-21-8-5-4-6-9-21/h4-17,19H,3,18H2,1-2H3,(H,27,29)
InChIKeyKFNIYIIKRUNQHI-UHFFFAOYSA-N
XLogP5.98
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 2-(4-phenylmethoxyindol-1-yl)propanoate
CID 84573134
1-(1-phenylethyl)-4-phenylmethoxyindole
CID 84571178
2-(5-ethylindol-1-yl)-N-(4-ethylphenyl)propanamide
CID 110831139
N-(4-hydroxyphenyl)-2-(1-propan-2-ylindol-4-yl)oxyacetamide
CID 91821459
1-ethyl-4-phenylmethoxyindole
CID 24776902
(1S,2R)-3-(methylamino)-1-phenyl-1-(4-phenylmethoxyindol-1-yl)propan-2-ol;hydrochloride
CID 69456550
2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 132659062
CID 59096793
CID 59096793
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide
CID 111332432
3-methylbutyl 2-(4-phenylmethoxyindol-1-yl)acetate
CID 84573126
ethyl N-[4-[2-(4-fluoroindol-1-yl)propanoylamino]phenyl]sulfonylcarbamate
CID 91136011
N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886763

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(4-phenylmethoxyindol-1-yl)propanamide?
The IUPAC name of N-(4-ethylphenyl)-2-(4-phenylmethoxyindol-1-yl)propanamide (CID 84573039) is N-(4-ethylphenyl)-2-(4-phenylmethoxyindol-1-yl)propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(4-phenylmethoxyindol-1-yl)propanamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(4-phenylmethoxyindol-1-yl)propanamide is CCc1ccc(NC(=O)C(C)n2ccc3c(OCc4ccccc4)cccc32)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(4-phenylmethoxyindol-1-yl)propanamide?
The InChIKey is KFNIYIIKRUNQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-3-20-12-14-22(15-13-20)27-26(29)19(2)28-17-16-23-24(28)10-7-11-25(23)30-18-21-8-5-4-6-9-21/h4-17,19H,3,18H2,1-2H3,(H,27,29).
What are the key properties of N-(4-ethylphenyl)-2-(4-phenylmethoxyindol-1-yl)propanamide?
N-(4-ethylphenyl)-2-(4-phenylmethoxyindol-1-yl)propanamide has a molecular weight of 398.51 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(4-phenylmethoxyindol-1-yl)propanamide is sourced from PubChem (CID 84573039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).