3-(7-ethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide

C30H28N2O3 — CID 4006072

IUPAC3-(7-ethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NCc3ccco3)c3cccc(Oc4ccccc4)c3)c[nH]c12
InChIInChI=1S/C30H28N2O3/c1-2-21-9-7-15-26-28(20-32-30(21)26)27(18-29(33)31-19-25-14-8-16-34-25)22-10-6-13-24(17-22)35-23-11-4-3-5-12-23/h3-17,20,27,32H,2,18-19H2,1H3,(H,31,33)
InChIKeyKJPICVVTQXIMNP-UHFFFAOYSA-N
MW464.57 g/mol
LogP6.95
Rot. Bonds9

About 3-(7-ethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide

3-(7-ethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide (PubChem CID 4006072) has the molecular formula C30H28N2O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 3-(7-ethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(7-ethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide
PubChem CID4006072
Molecular FormulaC30H28N2O3
Molecular Weight464.57 g/mol
Exact Mass464.21
IUPAC Name3-(7-ethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NCc3ccco3)c3cccc(Oc4ccccc4)c3)c[nH]c12
InChIInChI=1S/C30H28N2O3/c1-2-21-9-7-15-26-28(20-32-30(21)26)27(18-29(33)31-19-25-14-8-16-34-25)22-10-6-13-24(17-22)35-23-11-4-3-5-12-23/h3-17,20,27,32H,2,18-19H2,1H3,(H,31,33)
InChIKeyKJPICVVTQXIMNP-UHFFFAOYSA-N
XLogP6.95
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(7-ethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethoxy-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide
CID 42778032
3-(5-chloro-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide
CID 83278638
(3S)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 93064396
3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid
CID 42802172
3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 4102874
3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide
CID 4034993
3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 42802355
3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanoic acid
CID 42774239
3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide
CID 42774598
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-N-methyl-3-(3-phenoxyphenyl)propanamide
CID 4997248
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide
CID 93122362
N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide
CID 4622416

Frequently Asked Questions

What is the IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide?
The IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide (CID 4006072) is 3-(7-ethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-(7-ethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide?
The canonical SMILES for 3-(7-ethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide is CCc1cccc2c(C(CC(=O)NCc3ccco3)c3cccc(Oc4ccccc4)c3)c[nH]c12.
What is the InChIKey of 3-(7-ethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide?
The InChIKey is KJPICVVTQXIMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O3/c1-2-21-9-7-15-26-28(20-32-30(21)26)27(18-29(33)31-19-25-14-8-16-34-25)22-10-6-13-24(17-22)35-23-11-4-3-5-12-23/h3-17,20,27,32H,2,18-19H2,1H3,(H,31,33).
What are the key properties of 3-(7-ethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide?
3-(7-ethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide has a molecular weight of 464.57 g/mol, XLogP of 6.95, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide is sourced from PubChem (CID 4006072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).