2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-N-(2-methylphenyl)-8-oxononanamide

C28H35N3O4 — CID 69328395

IUPAC2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-N-(2-methylphenyl)-8-oxononanamide
SMILESCOc1ccc2[nH]c(C)c(CC(=O)NC(CCCCCC(C)=O)C(=O)Nc3ccccc3C)c2c1
InChIInChI=1S/C28H35N3O4/c1-18-10-8-9-12-24(18)31-28(34)26(13-7-5-6-11-19(2)32)30-27(33)17-22-20(3)29-25-15-14-21(35-4)16-23(22)25/h8-10,12,14-16,26,29H,5-7,11,13,17H2,1-4H3,(H,30,33)(H,31,34)
InChIKeyOQAGUZVLEWLILL-UHFFFAOYSA-N
MW477.61 g/mol
LogP5.00
Rot. Bonds12

About 2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-N-(2-methylphenyl)-8-oxononanamide

2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-N-(2-methylphenyl)-8-oxononanamide (PubChem CID 69328395) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is 2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-N-(2-methylphenyl)-8-oxononanamide.

Molecular Properties

Compound Name2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-N-(2-methylphenyl)-8-oxononanamide
PubChem CID69328395
Molecular FormulaC28H35N3O4
Molecular Weight477.61 g/mol
Exact Mass477.26
IUPAC Name2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-N-(2-methylphenyl)-8-oxononanamide
SMILESCOc1ccc2[nH]c(C)c(CC(=O)NC(CCCCCC(C)=O)C(=O)Nc3ccccc3C)c2c1
InChIInChI=1S/C28H35N3O4/c1-18-10-8-9-12-24(18)31-28(34)26(13-7-5-6-11-19(2)32)30-27(33)17-22-20(3)29-25-15-14-21(35-4)16-23(22)25/h8-10,12,14-16,26,29H,5-7,11,13,17H2,1-4H3,(H,30,33)(H,31,34)
InChIKeyOQAGUZVLEWLILL-UHFFFAOYSA-N
XLogP5.00
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-isoquinolin-5-yl-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-8-oxononanamide
CID 69319537
(2S)-N-(3,4-dichlorophenyl)-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-8-oxononanamide
CID 69320577
N-[(2S)-2-hydroxy-2-phenylethyl]-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-8-oxononanamide
CID 140634498
(2S)-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-N-(2-naphthalen-2-ylethyl)-8-oxononanamide
CID 69317966
(2S)-N-[(2,4-difluorophenyl)methyl]-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-8-oxononanamide
CID 69319270
(2S)-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-8-oxo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ylmethyl)nonanamide
CID 69321542
(2S)-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-8-oxo-N-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]nonanamide
CID 91580063
N-[(3S)-1-benzylpiperidin-3-yl]-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-8-oxononanamide
CID 140634500
(2S)-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-8-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]nonanamide
CID 69319784
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-1-ium-2-yl)octyl]acetamide chloride
CID 87331674
N-(1-benzylpiperidin-4-ylidene)-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-8-oxononanamide
CID 140528445
N-(2,4-dimethylphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212169

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-N-(2-methylphenyl)-8-oxononanamide?
The IUPAC name of 2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-N-(2-methylphenyl)-8-oxononanamide (CID 69328395) is 2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-N-(2-methylphenyl)-8-oxononanamide.
What is the SMILES notation for 2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-N-(2-methylphenyl)-8-oxononanamide?
The canonical SMILES for 2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-N-(2-methylphenyl)-8-oxononanamide is COc1ccc2[nH]c(C)c(CC(=O)NC(CCCCCC(C)=O)C(=O)Nc3ccccc3C)c2c1.
What is the InChIKey of 2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-N-(2-methylphenyl)-8-oxononanamide?
The InChIKey is OQAGUZVLEWLILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O4/c1-18-10-8-9-12-24(18)31-28(34)26(13-7-5-6-11-19(2)32)30-27(33)17-22-20(3)29-25-15-14-21(35-4)16-23(22)25/h8-10,12,14-16,26,29H,5-7,11,13,17H2,1-4H3,(H,30,33)(H,31,34).
What are the key properties of 2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-N-(2-methylphenyl)-8-oxononanamide?
2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-N-(2-methylphenyl)-8-oxononanamide has a molecular weight of 477.61 g/mol, XLogP of 5.00, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-N-(2-methylphenyl)-8-oxononanamide is sourced from PubChem (CID 69328395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).