(2-amino-2-oxo-1-phenylethyl) 2-(2-methoxy-5-methylphenyl)acetate

C18H19NO4 — CID 47017673

IUPAC(2-amino-2-oxo-1-phenylethyl) 2-(2-methoxy-5-methylphenyl)acetate
SMILESCOc1ccc(C)cc1CC(=O)OC(C(N)=O)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-12-8-9-15(22-2)14(10-12)11-16(20)23-17(18(19)21)13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3,(H2,19,21)
InChIKeyKJOYEIVLVQXRPB-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.32
Rot. Bonds6

About (2-amino-2-oxo-1-phenylethyl) 2-(2-methoxy-5-methylphenyl)acetate

(2-amino-2-oxo-1-phenylethyl) 2-(2-methoxy-5-methylphenyl)acetate (PubChem CID 47017673) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (2-amino-2-oxo-1-phenylethyl) 2-(2-methoxy-5-methylphenyl)acetate.

Molecular Properties

Compound Name(2-amino-2-oxo-1-phenylethyl) 2-(2-methoxy-5-methylphenyl)acetate
PubChem CID47017673
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(2-amino-2-oxo-1-phenylethyl) 2-(2-methoxy-5-methylphenyl)acetate
SMILESCOc1ccc(C)cc1CC(=O)OC(C(N)=O)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-12-8-9-15(22-2)14(10-12)11-16(20)23-17(18(19)21)13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3,(H2,19,21)
InChIKeyKJOYEIVLVQXRPB-UHFFFAOYSA-N
XLogP2.32
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxy-5-methylphenyl)methylamino]-2-phenylacetamide
CID 56811840
(2-amino-2-oxo-1-phenylethyl) 2-(2,5-dimethylphenyl)sulfanylacetate
CID 16595248
(2-amino-2-oxo-1-phenylethyl) 2-naphthalen-1-ylacetate
CID 16595235
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 8015324
(2-amino-2-oxo-1-phenylethyl) 2,5-dimethylbenzoate
CID 42886743
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate
CID 7765424
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate
CID 7950653
[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate
CID 9310675
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273154
[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate
CID 9310631
(4-carbamoylphenyl)methyl 2-(2-methoxy-5-methylphenyl)acetate
CID 27205283
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(benzotriazol-1-yl)acetate
CID 18276877

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxo-1-phenylethyl) 2-(2-methoxy-5-methylphenyl)acetate?
The IUPAC name of (2-amino-2-oxo-1-phenylethyl) 2-(2-methoxy-5-methylphenyl)acetate (CID 47017673) is (2-amino-2-oxo-1-phenylethyl) 2-(2-methoxy-5-methylphenyl)acetate.
What is the SMILES notation for (2-amino-2-oxo-1-phenylethyl) 2-(2-methoxy-5-methylphenyl)acetate?
The canonical SMILES for (2-amino-2-oxo-1-phenylethyl) 2-(2-methoxy-5-methylphenyl)acetate is COc1ccc(C)cc1CC(=O)OC(C(N)=O)c1ccccc1.
What is the InChIKey of (2-amino-2-oxo-1-phenylethyl) 2-(2-methoxy-5-methylphenyl)acetate?
The InChIKey is KJOYEIVLVQXRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12-8-9-15(22-2)14(10-12)11-16(20)23-17(18(19)21)13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3,(H2,19,21).
What are the key properties of (2-amino-2-oxo-1-phenylethyl) 2-(2-methoxy-5-methylphenyl)acetate?
(2-amino-2-oxo-1-phenylethyl) 2-(2-methoxy-5-methylphenyl)acetate has a molecular weight of 313.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxo-1-phenylethyl) 2-(2-methoxy-5-methylphenyl)acetate is sourced from PubChem (CID 47017673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).