N-(4-acetamidophenyl)-2-[ethyl-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]acetamide

C28H28N4O3 — CID 24506580

IUPACN-(4-acetamidophenyl)-2-[ethyl-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(C(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C28H28N4O3/c1-3-32(18-26(34)31-22-15-13-21(14-16-22)30-19(2)33)27(20-9-5-4-6-10-20)28(35)24-17-29-25-12-8-7-11-23(24)25/h4-17,27,29H,3,18H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyQFVJAZDJKHUBDI-UHFFFAOYSA-N
MW468.56 g/mol
LogP5.01
Rot. Bonds9

About N-(4-acetamidophenyl)-2-[ethyl-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]acetamide

N-(4-acetamidophenyl)-2-[ethyl-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]acetamide (PubChem CID 24506580) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[ethyl-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[ethyl-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]acetamide
PubChem CID24506580
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC NameN-(4-acetamidophenyl)-2-[ethyl-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(C(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C28H28N4O3/c1-3-32(18-26(34)31-22-15-13-21(14-16-22)30-19(2)33)27(20-9-5-4-6-10-20)28(35)24-17-29-25-12-8-7-11-23(24)25/h4-17,27,29H,3,18H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyQFVJAZDJKHUBDI-UHFFFAOYSA-N
XLogP5.01
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium
CID 8791398
N-(2-ethylphenyl)-2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]acetamide
CID 9356635
2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]-N-propylacetamide
CID 9356953
N-(4-acetamidophenyl)-2-[ethyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]acetamide
CID 8791437
N-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 131842101
[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-(diethylamino)benzoate
CID 2083622
2-[[1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55411340
2-acetamidoethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium
CID 9356616
(2S)-N-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide
CID 90661442
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide
CID 51171051
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 40746002
1-(1H-indol-3-yl)-2-(methylamino)butan-1-one
CID 82284949

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[ethyl-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[ethyl-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]acetamide (CID 24506580) is N-(4-acetamidophenyl)-2-[ethyl-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[ethyl-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[ethyl-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]acetamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(C(=O)c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[ethyl-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]acetamide?
The InChIKey is QFVJAZDJKHUBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-3-32(18-26(34)31-22-15-13-21(14-16-22)30-19(2)33)27(20-9-5-4-6-10-20)28(35)24-17-29-25-12-8-7-11-23(24)25/h4-17,27,29H,3,18H2,1-2H3,(H,30,33)(H,31,34).
What are the key properties of N-(4-acetamidophenyl)-2-[ethyl-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]acetamide?
N-(4-acetamidophenyl)-2-[ethyl-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]acetamide has a molecular weight of 468.56 g/mol, XLogP of 5.01, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[ethyl-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]acetamide is sourced from PubChem (CID 24506580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).