ethyl 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetate

C18H21NO3 — CID 78901900

IUPACethyl 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H21NO3/c1-3-19(13-18(21)22-4-2)17(20)12-14-9-10-15-7-5-6-8-16(15)11-14/h5-11H,3-4,12-13H2,1-2H3
InChIKeyVPLUIRBZGYGMNY-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.79
Rot. Bonds6

About ethyl 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetate

ethyl 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetate (PubChem CID 78901900) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetate
PubChem CID78901900
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Nameethyl 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H21NO3/c1-3-19(13-18(21)22-4-2)17(20)12-14-9-10-15-7-5-6-8-16(15)11-14/h5-11H,3-4,12-13H2,1-2H3
InChIKeyVPLUIRBZGYGMNY-UHFFFAOYSA-N
XLogP2.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetic acid
CID 61021983
ethyl 2-[ethyl-[2-(3-hydroxyphenyl)acetyl]amino]acetate
CID 54984127
N,N-dibenzyl-2-naphthalen-2-ylacetamide
CID 16849652
ethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate
CID 61022615
2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid
CID 18071237
N-(2-aminoethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 55149469
ethyl 2-[methyl-(2-phenylacetyl)amino]acetate
CID 10489936
N-(1-hydroxypropan-2-yl)-N-methyl-2-naphthalen-2-ylacetamide
CID 115765000
methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate
CID 61031185
methyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]-ethylamino]acetate
CID 61383632
ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate
CID 61022394
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetate (CID 78901900) is ethyl 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetate is CCOC(=O)CN(CC)C(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of ethyl 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetate?
The InChIKey is VPLUIRBZGYGMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-19(13-18(21)22-4-2)17(20)12-14-9-10-15-7-5-6-8-16(15)11-14/h5-11H,3-4,12-13H2,1-2H3.
What are the key properties of ethyl 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetate?
ethyl 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetate has a molecular weight of 299.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetate is sourced from PubChem (CID 78901900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).