ethyl 2-[[2-(2-methylphenyl)acetyl]-propan-2-ylamino]acetate

C16H23NO3 — CID 61021189

IUPACethyl 2-[[2-(2-methylphenyl)acetyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)Cc1ccccc1C)C(C)C
InChIInChI=1S/C16H23NO3/c1-5-20-16(19)11-17(12(2)3)15(18)10-14-9-7-6-8-13(14)4/h6-9,12H,5,10-11H2,1-4H3
InChIKeyHAXUILNJKILXNG-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.34
Rot. Bonds6

About ethyl 2-[[2-(2-methylphenyl)acetyl]-propan-2-ylamino]acetate

ethyl 2-[[2-(2-methylphenyl)acetyl]-propan-2-ylamino]acetate (PubChem CID 61021189) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 2-[[2-(2-methylphenyl)acetyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-methylphenyl)acetyl]-propan-2-ylamino]acetate
PubChem CID61021189
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 2-[[2-(2-methylphenyl)acetyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)Cc1ccccc1C)C(C)C
InChIInChI=1S/C16H23NO3/c1-5-20-16(19)11-17(12(2)3)15(18)10-14-9-7-6-8-13(14)4/h6-9,12H,5,10-11H2,1-4H3
InChIKeyHAXUILNJKILXNG-UHFFFAOYSA-N
XLogP2.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[2-(2-methylphenoxy)acetyl]-propan-2-ylamino]acetate
CID 61022066
ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate
CID 19778949
N-benzyl-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 113098358
ethyl 2-[[2-(3-aminophenyl)acetyl]-propan-2-ylamino]acetate
CID 62498045
ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate
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ethyl 2-[3-phenylprop-2-ynoyl(propan-2-yl)amino]acetate
CID 61021309
ethyl (2S)-2-methyl-3-(2-methylphenyl)propanoate
CID 125424870
methyl 2-[[2-(3-methyl-2-pyridinyl)acetyl]-propan-2-ylamino]acetate
CID 107148632
ethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate
CID 61022317
ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate
CID 170383647
ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-propan-2-ylamino]acetate
CID 61158556
ethyl 2-(N-methylsulfonyl-2-propan-2-ylanilino)acetate
CID 50893699

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-methylphenyl)acetyl]-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[[2-(2-methylphenyl)acetyl]-propan-2-ylamino]acetate (CID 61021189) is ethyl 2-[[2-(2-methylphenyl)acetyl]-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2-methylphenyl)acetyl]-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(2-methylphenyl)acetyl]-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)Cc1ccccc1C)C(C)C.
What is the InChIKey of ethyl 2-[[2-(2-methylphenyl)acetyl]-propan-2-ylamino]acetate?
The InChIKey is HAXUILNJKILXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-5-20-16(19)11-17(12(2)3)15(18)10-14-9-7-6-8-13(14)4/h6-9,12H,5,10-11H2,1-4H3.
What are the key properties of ethyl 2-[[2-(2-methylphenyl)acetyl]-propan-2-ylamino]acetate?
ethyl 2-[[2-(2-methylphenyl)acetyl]-propan-2-ylamino]acetate has a molecular weight of 277.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-methylphenyl)acetyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 61021189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).