2-[[2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetyl]amino]-N-(naphthalen-1-ylmethyl)propanamide

C26H24N4O4 — CID 144886365

IUPAC2-[[2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetyl]amino]-N-(naphthalen-1-ylmethyl)propanamide
SMILESCC(NC(=O)CNC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C26H24N4O4/c1-16(25(33)28-13-18-9-6-8-17-7-2-3-10-19(17)18)30-23(31)15-29-26(34)24(32)21-14-27-22-12-5-4-11-20(21)22/h2-12,14,16,27H,13,15H2,1H3,(H,28,33)(H,29,34)(H,30,31)
InChIKeyNNQLYMPUPQPRGS-UHFFFAOYSA-N
MW456.50 g/mol
LogP2.44
Rot. Bonds8

About 2-[[2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetyl]amino]-N-(naphthalen-1-ylmethyl)propanamide

2-[[2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetyl]amino]-N-(naphthalen-1-ylmethyl)propanamide (PubChem CID 144886365) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is 2-[[2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetyl]amino]-N-(naphthalen-1-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[[2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetyl]amino]-N-(naphthalen-1-ylmethyl)propanamide
PubChem CID144886365
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Name2-[[2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetyl]amino]-N-(naphthalen-1-ylmethyl)propanamide
SMILESCC(NC(=O)CNC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C26H24N4O4/c1-16(25(33)28-13-18-9-6-8-17-7-2-3-10-19(17)18)30-23(31)15-29-26(34)24(32)21-14-27-22-12-5-4-11-20(21)22/h2-12,14,16,27H,13,15H2,1H3,(H,28,33)(H,29,34)(H,30,31)
InChIKeyNNQLYMPUPQPRGS-UHFFFAOYSA-N
XLogP2.44
TPSA120.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-N'-tert-butyl-N-[3-(4-fluorophenyl)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]butanediamide
CID 129094805
N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117283
(2S)-N-(6-acetamidohexyl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanamide
CID 10091557
tert-butyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate
CID 10040581
(2S)-N-[(2S)-3-(4-fluorophenyl)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]butanediamide
CID 144886401
(2S)-2-[3-(1H-indol-3-yl)propanoylamino]-N-propylpropanamide
CID 27860985
N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
CID 59531603
4-(1H-indol-3-ylmethylamino)-3-methyl-4-oxobutanoic acid
CID 115164587
N-[(2S)-4-(dimethylamino)butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 66664820
N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-2-[[2-(1H-indol-3-yl)acetyl]amino]propanamide
CID 171139133
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
2-(1H-indol-3-yl)-N-[2-(2-methylindol-1-yl)ethyl]-2-oxoacetamide
CID 20879509

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetyl]amino]-N-(naphthalen-1-ylmethyl)propanamide?
The IUPAC name of 2-[[2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetyl]amino]-N-(naphthalen-1-ylmethyl)propanamide (CID 144886365) is 2-[[2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetyl]amino]-N-(naphthalen-1-ylmethyl)propanamide.
What is the SMILES notation for 2-[[2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetyl]amino]-N-(naphthalen-1-ylmethyl)propanamide?
The canonical SMILES for 2-[[2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetyl]amino]-N-(naphthalen-1-ylmethyl)propanamide is CC(NC(=O)CNC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)NCc1cccc2ccccc12.
What is the InChIKey of 2-[[2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetyl]amino]-N-(naphthalen-1-ylmethyl)propanamide?
The InChIKey is NNQLYMPUPQPRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-16(25(33)28-13-18-9-6-8-17-7-2-3-10-19(17)18)30-23(31)15-29-26(34)24(32)21-14-27-22-12-5-4-11-20(21)22/h2-12,14,16,27H,13,15H2,1H3,(H,28,33)(H,29,34)(H,30,31).
What are the key properties of 2-[[2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetyl]amino]-N-(naphthalen-1-ylmethyl)propanamide?
2-[[2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetyl]amino]-N-(naphthalen-1-ylmethyl)propanamide has a molecular weight of 456.50 g/mol, XLogP of 2.44, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetyl]amino]-N-(naphthalen-1-ylmethyl)propanamide is sourced from PubChem (CID 144886365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).