2-(butan-2-ylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide

C13H20N2O3 — CID 54908186

IUPAC2-(butan-2-ylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide
SMILESCCC(C)NC(C(N)=O)c1ccc(O)c(OC)c1
InChIInChI=1S/C13H20N2O3/c1-4-8(2)15-12(13(14)17)9-5-6-10(16)11(7-9)18-3/h5-8,12,15-16H,4H2,1-3H3,(H2,14,17)
InChIKeyLODWSXGKQJNIRZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.32
Rot. Bonds6

About 2-(butan-2-ylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide

2-(butan-2-ylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide (PubChem CID 54908186) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide
PubChem CID54908186
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(butan-2-ylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide
SMILESCCC(C)NC(C(N)=O)c1ccc(O)c(OC)c1
InChIInChI=1S/C13H20N2O3/c1-4-8(2)15-12(13(14)17)9-5-6-10(16)11(7-9)18-3/h5-8,12,15-16H,4H2,1-3H3,(H2,14,17)
InChIKeyLODWSXGKQJNIRZ-UHFFFAOYSA-N
XLogP1.32
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65026746
methyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
CID 61024813
ethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
CID 61023762
2-(butan-2-ylamino)-2-(2-methoxyphenyl)acetamide
CID 54907954
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]acetamide
CID 16772013
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 22339410
2-(cycloheptylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 60997345
2-(butan-2-ylamino)-2-(3-fluorophenyl)acetamide
CID 61023640
2-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 55039856
2-(butan-2-ylamino)-2-(2-chloro-3,4-dimethoxyphenyl)acetamide
CID 63632739
2-(3-fluoroanilino)-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 60996040
methyl 2-(butan-2-ylamino)-2-(3,5-dimethoxyphenyl)acetate
CID 61024922

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide (CID 54908186) is 2-(butan-2-ylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide is CCC(C)NC(C(N)=O)c1ccc(O)c(OC)c1.
What is the InChIKey of 2-(butan-2-ylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide?
The InChIKey is LODWSXGKQJNIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-8(2)15-12(13(14)17)9-5-6-10(16)11(7-9)18-3/h5-8,12,15-16H,4H2,1-3H3,(H2,14,17).
What are the key properties of 2-(butan-2-ylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide?
2-(butan-2-ylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide has a molecular weight of 252.31 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide is sourced from PubChem (CID 54908186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).