ethyl 2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetate

C14H19NO4 — CID 115142102

IUPACethyl 2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(C)CCc1cccc(OC)c1
InChIInChI=1S/C14H19NO4/c1-4-19-14(17)13(16)15(2)9-8-11-6-5-7-12(10-11)18-3/h5-7,10H,4,8-9H2,1-3H3
InChIKeyPBZOWONEEUZXQX-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.26
Rot. Bonds5

About ethyl 2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetate

ethyl 2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetate (PubChem CID 115142102) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetate
PubChem CID115142102
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(C)CCc1cccc(OC)c1
InChIInChI=1S/C14H19NO4/c1-4-19-14(17)13(16)15(2)9-8-11-6-5-7-12(10-11)18-3/h5-7,10H,4,8-9H2,1-3H3
InChIKeyPBZOWONEEUZXQX-UHFFFAOYSA-N
XLogP1.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetic acid
CID 82129650
N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 115191366
3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropanamide
CID 115162712
N-[2-(3-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 115152133
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
2-cyano-N-[2-(3-methoxyphenyl)ethyl]-N-methylbutanamide
CID 115188456
3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid
CID 60989775
ethyl (2E)-2-hydroxyimino-5-(3-methoxyphenyl)pentanoate
CID 18370792
3-(3-methoxyphenyl)-N,N-dipropylpropanamide
CID 86913065
ethyl 4-[(3-methoxyphenyl)methyl-methylamino]-4-oxobutanoate
CID 60636296
N,N-diethyl-2-(3-methoxyphenyl)ethanamine
CID 69380986
ethyl N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]carbamate
CID 113067706

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetate (CID 115142102) is ethyl 2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetate is CCOC(=O)C(=O)N(C)CCc1cccc(OC)c1.
What is the InChIKey of ethyl 2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetate?
The InChIKey is PBZOWONEEUZXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-19-14(17)13(16)15(2)9-8-11-6-5-7-12(10-11)18-3/h5-7,10H,4,8-9H2,1-3H3.
What are the key properties of ethyl 2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetate?
ethyl 2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetate has a molecular weight of 265.31 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetate is sourced from PubChem (CID 115142102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).