[4-(4-methoxyanilino)-3,3-dimethyl-4-oxobutan-2-yl] acetate

C15H21NO4 — CID 10378873

IUPAC[4-(4-methoxyanilino)-3,3-dimethyl-4-oxobutan-2-yl] acetate
SMILESCOc1ccc(NC(=O)C(C)(C)C(C)OC(C)=O)cc1
InChIInChI=1S/C15H21NO4/c1-10(20-11(2)17)15(3,4)14(18)16-12-6-8-13(19-5)9-7-12/h6-10H,1-5H3,(H,16,18)
InChIKeyIVGGZYLRXNXIIT-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.61
Rot. Bonds5

About [4-(4-methoxyanilino)-3,3-dimethyl-4-oxobutan-2-yl] acetate

[4-(4-methoxyanilino)-3,3-dimethyl-4-oxobutan-2-yl] acetate (PubChem CID 10378873) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is [4-(4-methoxyanilino)-3,3-dimethyl-4-oxobutan-2-yl] acetate.

Molecular Properties

Compound Name[4-(4-methoxyanilino)-3,3-dimethyl-4-oxobutan-2-yl] acetate
PubChem CID10378873
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name[4-(4-methoxyanilino)-3,3-dimethyl-4-oxobutan-2-yl] acetate
SMILESCOc1ccc(NC(=O)C(C)(C)C(C)OC(C)=O)cc1
InChIInChI=1S/C15H21NO4/c1-10(20-11(2)17)15(3,4)14(18)16-12-6-8-13(19-5)9-7-12/h6-10H,1-5H3,(H,16,18)
InChIKeyIVGGZYLRXNXIIT-UHFFFAOYSA-N
XLogP2.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 56832266
2-(4-methoxyphenyl)-2-methyl-N-(4-propan-2-ylphenyl)propanamide
CID 113197616
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110438737
2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide
CID 79788488
1,1,1,4,4,4-hexafluorobutane-2,3-dione;N-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 158094253
1,3-bis(4-methoxyphenyl)urea
CID 139045428
(E)-N-(4-methoxyphenyl)-4-methylpent-2-enamide
CID 127125735
2-(methanesulfonamido)-N-(4-methoxyphenyl)-2-methylpropanamide
CID 99817079
N-[4-(dimethylamino)phenyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969421
1-tert-butyl-3-(4-methoxyphenyl)urea
CID 6457975
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
(2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide
CID 61149357

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyanilino)-3,3-dimethyl-4-oxobutan-2-yl] acetate?
The IUPAC name of [4-(4-methoxyanilino)-3,3-dimethyl-4-oxobutan-2-yl] acetate (CID 10378873) is [4-(4-methoxyanilino)-3,3-dimethyl-4-oxobutan-2-yl] acetate.
What is the SMILES notation for [4-(4-methoxyanilino)-3,3-dimethyl-4-oxobutan-2-yl] acetate?
The canonical SMILES for [4-(4-methoxyanilino)-3,3-dimethyl-4-oxobutan-2-yl] acetate is COc1ccc(NC(=O)C(C)(C)C(C)OC(C)=O)cc1.
What is the InChIKey of [4-(4-methoxyanilino)-3,3-dimethyl-4-oxobutan-2-yl] acetate?
The InChIKey is IVGGZYLRXNXIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(20-11(2)17)15(3,4)14(18)16-12-6-8-13(19-5)9-7-12/h6-10H,1-5H3,(H,16,18).
What are the key properties of [4-(4-methoxyanilino)-3,3-dimethyl-4-oxobutan-2-yl] acetate?
[4-(4-methoxyanilino)-3,3-dimethyl-4-oxobutan-2-yl] acetate has a molecular weight of 279.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyanilino)-3,3-dimethyl-4-oxobutan-2-yl] acetate is sourced from PubChem (CID 10378873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).