3-(N-formyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)-2-oxobutanamide

C17H24N2O4 — CID 134349382

IUPAC3-(N-formyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)-2-oxobutanamide
SMILESCOc1ccccc1N(C=O)C(C)C(=O)C(=O)NC(C)C(C)C
InChIInChI=1S/C17H24N2O4/c1-11(2)12(3)18-17(22)16(21)13(4)19(10-20)14-8-6-7-9-15(14)23-5/h6-13H,1-5H3,(H,18,22)
InChIKeyIYRVVYVZMQOYNF-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.78
Rot. Bonds8

About 3-(N-formyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)-2-oxobutanamide

3-(N-formyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)-2-oxobutanamide (PubChem CID 134349382) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-(N-formyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)-2-oxobutanamide.

Molecular Properties

Compound Name3-(N-formyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)-2-oxobutanamide
PubChem CID134349382
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name3-(N-formyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)-2-oxobutanamide
SMILESCOc1ccccc1N(C=O)C(C)C(=O)C(=O)NC(C)C(C)C
InChIInChI=1S/C17H24N2O4/c1-11(2)12(3)18-17(22)16(21)13(4)19(10-20)14-8-6-7-9-15(14)23-5/h6-13H,1-5H3,(H,18,22)
InChIKeyIYRVVYVZMQOYNF-UHFFFAOYSA-N
XLogP1.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(N-formyl-2-methoxyanilino)-2-oxo-N-(pyridin-2-ylmethyl)butanamide
CID 139335045
3-(N-formyl-2-methoxyanilino)-2-hydroxy-N-(2-methoxyphenyl)butanamide
CID 134349269
2-(2-methoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100564349
2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704
N-(2-methoxyphenyl)-N-methylformamide
CID 12838509
2-[(2-methoxyphenyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60688505
3-(2-methoxyphenoxy)-2-oxo-N-propan-2-ylbutanamide
CID 139329282
2-(2-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide
CID 133250067
2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)acetamide
CID 42977229
N-(butanoylamino)-N-(2-methoxyphenyl)formamide
CID 151487237
2-[1-(2-methoxy-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid
CID 154843476
3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide
CID 133250038

Frequently Asked Questions

What is the IUPAC name of 3-(N-formyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)-2-oxobutanamide?
The IUPAC name of 3-(N-formyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)-2-oxobutanamide (CID 134349382) is 3-(N-formyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)-2-oxobutanamide.
What is the SMILES notation for 3-(N-formyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)-2-oxobutanamide?
The canonical SMILES for 3-(N-formyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)-2-oxobutanamide is COc1ccccc1N(C=O)C(C)C(=O)C(=O)NC(C)C(C)C.
What is the InChIKey of 3-(N-formyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)-2-oxobutanamide?
The InChIKey is IYRVVYVZMQOYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-11(2)12(3)18-17(22)16(21)13(4)19(10-20)14-8-6-7-9-15(14)23-5/h6-13H,1-5H3,(H,18,22).
What are the key properties of 3-(N-formyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)-2-oxobutanamide?
3-(N-formyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)-2-oxobutanamide has a molecular weight of 320.39 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-formyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)-2-oxobutanamide is sourced from PubChem (CID 134349382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).