ethyl 2-[(2-amino-2-oxoethyl)-[(4-methylphenyl)methyl]amino]acetate

C14H20N2O3 — CID 47425316

IUPACethyl 2-[(2-amino-2-oxoethyl)-[(4-methylphenyl)methyl]amino]acetate
SMILESCCOC(=O)CN(CC(N)=O)Cc1ccc(C)cc1
InChIInChI=1S/C14H20N2O3/c1-3-19-14(18)10-16(9-13(15)17)8-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H2,15,17)
InChIKeyFXDBPCMUWKNLSA-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.85
Rot. Bonds7

About ethyl 2-[(2-amino-2-oxoethyl)-[(4-methylphenyl)methyl]amino]acetate

ethyl 2-[(2-amino-2-oxoethyl)-[(4-methylphenyl)methyl]amino]acetate (PubChem CID 47425316) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-[(2-amino-2-oxoethyl)-[(4-methylphenyl)methyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-2-oxoethyl)-[(4-methylphenyl)methyl]amino]acetate
PubChem CID47425316
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 2-[(2-amino-2-oxoethyl)-[(4-methylphenyl)methyl]amino]acetate
SMILESCCOC(=O)CN(CC(N)=O)Cc1ccc(C)cc1
InChIInChI=1S/C14H20N2O3/c1-3-19-14(18)10-16(9-13(15)17)8-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H2,15,17)
InChIKeyFXDBPCMUWKNLSA-UHFFFAOYSA-N
XLogP0.85
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
3-[(2-amino-2-oxoethyl)-[(4-methylphenyl)methyl]amino]propanoic acid
CID 82326759
[4-[[bis(2-ethoxy-2-oxoethyl)amino]methyl]phenyl]-diphenylsulfanium
CID 160930446
ethyl 2-[benzyl(2-fluoroethyl)amino]acetate
CID 80602116
ethyl 4-[methyl-[(4-methylphenyl)methyl]amino]-3-oxobutanoate
CID 63898313
2-[ethyl-[(4-hydroxyphenyl)methyl]amino]acetamide
CID 88657725
ethyl 2-[benzyl-[2-[ethyl(methyl)amino]-2-oxoethyl]amino]acetate
CID 78978637
ethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate
CID 78979113
2-[ethyl-[(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide
CID 47053554
ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate
CID 78957165
ethyl 2-[benzyl(cyanomethyl)amino]acetate
CID 78977806
ethyl 2-[[4-(trifluoromethyl)phenyl]methyl-(trimethylsilylmethyl)amino]acetate
CID 132541057

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-2-oxoethyl)-[(4-methylphenyl)methyl]amino]acetate?
The IUPAC name of ethyl 2-[(2-amino-2-oxoethyl)-[(4-methylphenyl)methyl]amino]acetate (CID 47425316) is ethyl 2-[(2-amino-2-oxoethyl)-[(4-methylphenyl)methyl]amino]acetate.
What is the SMILES notation for ethyl 2-[(2-amino-2-oxoethyl)-[(4-methylphenyl)methyl]amino]acetate?
The canonical SMILES for ethyl 2-[(2-amino-2-oxoethyl)-[(4-methylphenyl)methyl]amino]acetate is CCOC(=O)CN(CC(N)=O)Cc1ccc(C)cc1.
What is the InChIKey of ethyl 2-[(2-amino-2-oxoethyl)-[(4-methylphenyl)methyl]amino]acetate?
The InChIKey is FXDBPCMUWKNLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-19-14(18)10-16(9-13(15)17)8-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H2,15,17).
What are the key properties of ethyl 2-[(2-amino-2-oxoethyl)-[(4-methylphenyl)methyl]amino]acetate?
ethyl 2-[(2-amino-2-oxoethyl)-[(4-methylphenyl)methyl]amino]acetate has a molecular weight of 264.32 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-2-oxoethyl)-[(4-methylphenyl)methyl]amino]acetate is sourced from PubChem (CID 47425316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).