ethyl 2-[(1-anilino-1-oxopropan-2-yl)-propan-2-ylamino]acetate

C16H24N2O3 — CID 62028333

IUPACethyl 2-[(1-anilino-1-oxopropan-2-yl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(C)C)C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-5-21-15(19)11-18(12(2)3)13(4)16(20)17-14-9-7-6-8-10-14/h6-10,12-13H,5,11H2,1-4H3,(H,17,20)
InChIKeyMXCRZQOTRVZNOM-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.29
Rot. Bonds7

About ethyl 2-[(1-anilino-1-oxopropan-2-yl)-propan-2-ylamino]acetate

ethyl 2-[(1-anilino-1-oxopropan-2-yl)-propan-2-ylamino]acetate (PubChem CID 62028333) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 2-[(1-anilino-1-oxopropan-2-yl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-anilino-1-oxopropan-2-yl)-propan-2-ylamino]acetate
PubChem CID62028333
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl 2-[(1-anilino-1-oxopropan-2-yl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(C)C)C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-5-21-15(19)11-18(12(2)3)13(4)16(20)17-14-9-7-6-8-10-14/h6-10,12-13H,5,11H2,1-4H3,(H,17,20)
InChIKeyMXCRZQOTRVZNOM-UHFFFAOYSA-N
XLogP2.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 62026624
ethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate
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ethyl 3-anilino-3-oxopropanoate
CID 3016808
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ethyl 3-anilino-3-oxo-2-phenylpropanoate
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2-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]-propylamino]-N-phenylpropanamide
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ethyl 2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]acetate
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ethyl 3-anilino-2-cyano-3-oxopropanoate
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2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725
(2R)-2-amino-N-phenylpropanamide
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CID 9274605

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-anilino-1-oxopropan-2-yl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(1-anilino-1-oxopropan-2-yl)-propan-2-ylamino]acetate (CID 62028333) is ethyl 2-[(1-anilino-1-oxopropan-2-yl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(1-anilino-1-oxopropan-2-yl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(1-anilino-1-oxopropan-2-yl)-propan-2-ylamino]acetate is CCOC(=O)CN(C(C)C)C(C)C(=O)Nc1ccccc1.
What is the InChIKey of ethyl 2-[(1-anilino-1-oxopropan-2-yl)-propan-2-ylamino]acetate?
The InChIKey is MXCRZQOTRVZNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-21-15(19)11-18(12(2)3)13(4)16(20)17-14-9-7-6-8-10-14/h6-10,12-13H,5,11H2,1-4H3,(H,17,20).
What are the key properties of ethyl 2-[(1-anilino-1-oxopropan-2-yl)-propan-2-ylamino]acetate?
ethyl 2-[(1-anilino-1-oxopropan-2-yl)-propan-2-ylamino]acetate has a molecular weight of 292.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-anilino-1-oxopropan-2-yl)-propan-2-ylamino]acetate is sourced from PubChem (CID 62028333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).