N-ethoxy-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide

C27H28N2O3 — CID 42778032

IUPACN-ethoxy-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide
SMILESCCONC(=O)CC(c1cccc(Oc2ccccc2)c1)c1c[nH]c2c(CC)cccc12
InChIInChI=1S/C27H28N2O3/c1-3-19-10-9-15-23-25(18-28-27(19)23)24(17-26(30)29-31-4-2)20-11-8-14-22(16-20)32-21-12-6-5-7-13-21/h5-16,18,24,28H,3-4,17H2,1-2H3,(H,29,30)
InChIKeyQPGKQWPQALVMAT-UHFFFAOYSA-N
MW428.53 g/mol
LogP6.11
Rot. Bonds9

About N-ethoxy-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide

N-ethoxy-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide (PubChem CID 42778032) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-ethoxy-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide.

Molecular Properties

Compound NameN-ethoxy-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide
PubChem CID42778032
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC NameN-ethoxy-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide
SMILESCCONC(=O)CC(c1cccc(Oc2ccccc2)c1)c1c[nH]c2c(CC)cccc12
InChIInChI=1S/C27H28N2O3/c1-3-19-10-9-15-23-25(18-28-27(19)23)24(17-26(30)29-31-4-2)20-11-8-14-22(16-20)32-21-12-6-5-7-13-21/h5-16,18,24,28H,3-4,17H2,1-2H3,(H,29,30)
InChIKeyQPGKQWPQALVMAT-UHFFFAOYSA-N
XLogP6.11
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(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)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide
CID 4006072
3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid
CID 42802172
3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanoic acid
CID 42774239
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-N-methyl-3-(3-phenoxyphenyl)propanamide
CID 4997248
N-ethoxy-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide
CID 3537942
3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 4102874
(3S)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 93123779
(3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93123778
N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide
CID 4622416
N-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 42802298
3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide
CID 4034993

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide?
The IUPAC name of N-ethoxy-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide (CID 42778032) is N-ethoxy-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide.
What is the SMILES notation for N-ethoxy-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide?
The canonical SMILES for N-ethoxy-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide is CCONC(=O)CC(c1cccc(Oc2ccccc2)c1)c1c[nH]c2c(CC)cccc12.
What is the InChIKey of N-ethoxy-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide?
The InChIKey is QPGKQWPQALVMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-3-19-10-9-15-23-25(18-28-27(19)23)24(17-26(30)29-31-4-2)20-11-8-14-22(16-20)32-21-12-6-5-7-13-21/h5-16,18,24,28H,3-4,17H2,1-2H3,(H,29,30).
What are the key properties of N-ethoxy-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide?
N-ethoxy-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide has a molecular weight of 428.53 g/mol, XLogP of 6.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide is sourced from PubChem (CID 42778032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).