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

C16H23NO4 — CID 61022066

IUPACethyl 2-[[2-(2-methylphenoxy)acetyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)COc1ccccc1C)C(C)C
InChIInChI=1S/C16H23NO4/c1-5-20-16(19)10-17(12(2)3)15(18)11-21-14-9-7-6-8-13(14)4/h6-9,12H,5,10-11H2,1-4H3
InChIKeyCVPAEJPRAMVTSC-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.17
Rot. Bonds7

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

ethyl 2-[[2-(2-methylphenoxy)acetyl]-propan-2-ylamino]acetate (PubChem CID 61022066) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 2-[[2-(2-methylphenoxy)acetyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-methylphenoxy)acetyl]-propan-2-ylamino]acetate
PubChem CID61022066
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 2-[[2-(2-methylphenoxy)acetyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)COc1ccccc1C)C(C)C
InChIInChI=1S/C16H23NO4/c1-5-20-16(19)10-17(12(2)3)15(18)11-21-14-9-7-6-8-13(14)4/h6-9,12H,5,10-11H2,1-4H3
InChIKeyCVPAEJPRAMVTSC-UHFFFAOYSA-N
XLogP2.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate
CID 61022317
ethyl 2-[[2-(2-methylphenyl)acetyl]-propan-2-ylamino]acetate
CID 61021189
ethyl 2-[cyclopropyl-[2-(2-methylphenoxy)acetyl]amino]acetate
CID 61410246
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
N-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide
CID 62333062
methyl 2-[[2-(2-phenylphenoxy)acetyl]-propan-2-ylamino]acetate
CID 78878045
2-[4-(2-methylphenoxy)butanoyl-propan-2-ylamino]acetic acid
CID 60832572
N-(3-methylbutan-2-yl)-2-(2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 86895863
2-[[2-(2-phenylmethoxyphenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 119198036
ethyl 2-[3-phenylprop-2-ynoyl(propan-2-yl)amino]acetate
CID 61021309
2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid
CID 61327891
(2R)-2-[[2-(2-methylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 100734100

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-methylphenoxy)acetyl]-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[[2-(2-methylphenoxy)acetyl]-propan-2-ylamino]acetate (CID 61022066) is ethyl 2-[[2-(2-methylphenoxy)acetyl]-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2-methylphenoxy)acetyl]-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(2-methylphenoxy)acetyl]-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)COc1ccccc1C)C(C)C.
What is the InChIKey of ethyl 2-[[2-(2-methylphenoxy)acetyl]-propan-2-ylamino]acetate?
The InChIKey is CVPAEJPRAMVTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-20-16(19)10-17(12(2)3)15(18)11-21-14-9-7-6-8-13(14)4/h6-9,12H,5,10-11H2,1-4H3.
What are the key properties of ethyl 2-[[2-(2-methylphenoxy)acetyl]-propan-2-ylamino]acetate?
ethyl 2-[[2-(2-methylphenoxy)acetyl]-propan-2-ylamino]acetate has a molecular weight of 293.36 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-methylphenoxy)acetyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 61022066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).