ethyl 2-(butan-2-ylamino)-2-(2-ethoxyphenyl)acetate

C16H25NO3 — CID 61026398

IUPACethyl 2-(butan-2-ylamino)-2-(2-ethoxyphenyl)acetate
SMILESCCOC(=O)C(NC(C)CC)c1ccccc1OCC
InChIInChI=1S/C16H25NO3/c1-5-12(4)17-15(16(18)20-7-3)13-10-8-9-11-14(13)19-6-2/h8-12,15,17H,5-7H2,1-4H3
InChIKeyFTCTTWQYEYZBTM-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.08
Rot. Bonds8

About ethyl 2-(butan-2-ylamino)-2-(2-ethoxyphenyl)acetate

ethyl 2-(butan-2-ylamino)-2-(2-ethoxyphenyl)acetate (PubChem CID 61026398) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl 2-(butan-2-ylamino)-2-(2-ethoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(butan-2-ylamino)-2-(2-ethoxyphenyl)acetate
PubChem CID61026398
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nameethyl 2-(butan-2-ylamino)-2-(2-ethoxyphenyl)acetate
SMILESCCOC(=O)C(NC(C)CC)c1ccccc1OCC
InChIInChI=1S/C16H25NO3/c1-5-12(4)17-15(16(18)20-7-3)13-10-8-9-11-14(13)19-6-2/h8-12,15,17H,5-7H2,1-4H3
InChIKeyFTCTTWQYEYZBTM-UHFFFAOYSA-N
XLogP3.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(butan-2-ylamino)-2-[2-(difluoromethoxy)phenyl]acetate
CID 61023653
2-(butan-2-ylamino)-2-(2-methoxyphenyl)acetamide
CID 54907954
(2S)-N-[(1S)-1-(2-propoxyphenyl)ethyl]butan-2-amine
CID 100556071
ethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
CID 61023762
2-(butan-2-ylamino)-2-(2-ethylphenyl)acetic acid
CID 62414694
ethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate
CID 60812252
ethyl 4-(2-butan-2-ylphenoxy)-3-oxobutanoate
CID 60644082
ethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate
CID 114937457
ethyl 2-[2-(1-aminopropyl)phenoxy]acetate
CID 60877898
ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81387523
ethyl 2-(butan-2-ylamino)-2-(3,4-dibromophenyl)acetate
CID 114077402
ethyl 2-(butan-2-ylamino)-2-(3,4-dichlorophenyl)acetate
CID 54908339

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(butan-2-ylamino)-2-(2-ethoxyphenyl)acetate?
The IUPAC name of ethyl 2-(butan-2-ylamino)-2-(2-ethoxyphenyl)acetate (CID 61026398) is ethyl 2-(butan-2-ylamino)-2-(2-ethoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(butan-2-ylamino)-2-(2-ethoxyphenyl)acetate?
The canonical SMILES for ethyl 2-(butan-2-ylamino)-2-(2-ethoxyphenyl)acetate is CCOC(=O)C(NC(C)CC)c1ccccc1OCC.
What is the InChIKey of ethyl 2-(butan-2-ylamino)-2-(2-ethoxyphenyl)acetate?
The InChIKey is FTCTTWQYEYZBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-12(4)17-15(16(18)20-7-3)13-10-8-9-11-14(13)19-6-2/h8-12,15,17H,5-7H2,1-4H3.
What are the key properties of ethyl 2-(butan-2-ylamino)-2-(2-ethoxyphenyl)acetate?
ethyl 2-(butan-2-ylamino)-2-(2-ethoxyphenyl)acetate has a molecular weight of 279.38 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(butan-2-ylamino)-2-(2-ethoxyphenyl)acetate is sourced from PubChem (CID 61026398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).