N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

C23H30N4O4 — CID 54844392

IUPACN-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCOCCNC(=O)c1cccc(NC(=O)CNc2cccc(C(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C23H30N4O4/c1-23(2,3)27-22(30)17-8-5-9-18(13-17)25-15-20(28)26-19-10-6-7-16(14-19)21(29)24-11-12-31-4/h5-10,13-14,25H,11-12,15H2,1-4H3,(H,24,29)(H,26,28)(H,27,30)
InChIKeyAFHJILJEYMYFJB-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.64
Rot. Bonds9

About N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54844392) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54844392
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC NameN-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCOCCNC(=O)c1cccc(NC(=O)CNc2cccc(C(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C23H30N4O4/c1-23(2,3)27-22(30)17-8-5-9-18(13-17)25-15-20(28)26-19-10-6-7-16(14-19)21(29)24-11-12-31-4/h5-10,13-14,25H,11-12,15H2,1-4H3,(H,24,29)(H,26,28)(H,27,30)
InChIKeyAFHJILJEYMYFJB-UHFFFAOYSA-N
XLogP2.64
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844318
N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844494
methyl 4-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817106
3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836164
N-(2-methoxyethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54838931
N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810230
N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846451
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54831834
N-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841294
N-(2-methoxyethyl)-3-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide
CID 54838787
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54811092
N-(2-methoxyethyl)-3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54826584

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (CID 54844392) is N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is COCCNC(=O)c1cccc(NC(=O)CNc2cccc(C(=O)NC(C)(C)C)c2)c1.
What is the InChIKey of N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is AFHJILJEYMYFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-23(2,3)27-22(30)17-8-5-9-18(13-17)25-15-20(28)26-19-10-6-7-16(14-19)21(29)24-11-12-31-4/h5-10,13-14,25H,11-12,15H2,1-4H3,(H,24,29)(H,26,28)(H,27,30).
What are the key properties of N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 426.52 g/mol, XLogP of 2.64, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54844392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).