ethyl 2-[[2-(ethylamino)benzoyl]amino]propanoate

C14H20N2O3 — CID 63108435

IUPACethyl 2-[[2-(ethylamino)benzoyl]amino]propanoate
SMILESCCNc1ccccc1C(=O)NC(C)C(=O)OCC
InChIInChI=1S/C14H20N2O3/c1-4-15-12-9-7-6-8-11(12)13(17)16-10(3)14(18)19-5-2/h6-10,15H,4-5H2,1-3H3,(H,16,17)
InChIKeyRJMCGALCQVYHKP-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.80
Rot. Bonds6

About ethyl 2-[[2-(ethylamino)benzoyl]amino]propanoate

ethyl 2-[[2-(ethylamino)benzoyl]amino]propanoate (PubChem CID 63108435) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-[[2-(ethylamino)benzoyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[2-(ethylamino)benzoyl]amino]propanoate
PubChem CID63108435
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 2-[[2-(ethylamino)benzoyl]amino]propanoate
SMILESCCNc1ccccc1C(=O)NC(C)C(=O)OCC
InChIInChI=1S/C14H20N2O3/c1-4-15-12-9-7-6-8-11(12)13(17)16-10(3)14(18)19-5-2/h6-10,15H,4-5H2,1-3H3,(H,16,17)
InChIKeyRJMCGALCQVYHKP-UHFFFAOYSA-N
XLogP1.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate
CID 63107958
methyl 2-[[2-(propylamino)benzoyl]amino]propanoate
CID 63108414
ethyl (2R)-2-[(2-aminobenzoyl)amino]propanoate
CID 59756243
methyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate
CID 63107982
2-(ethylamino)-N-(2-methylpropoxy)benzamide
CID 82723063
ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate
CID 55177471
N-but-3-yn-2-yl-2-(ethylamino)benzamide
CID 114418246
ethyl 2-[(2-fluoro-3-methylbenzoyl)amino]propanoate
CID 80717900
ethyl (2S)-2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]propanoate
CID 88537650
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide
CID 81356651
2-(ethylamino)-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide
CID 81368098
2-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 82724577

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(ethylamino)benzoyl]amino]propanoate?
The IUPAC name of ethyl 2-[[2-(ethylamino)benzoyl]amino]propanoate (CID 63108435) is ethyl 2-[[2-(ethylamino)benzoyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[2-(ethylamino)benzoyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[2-(ethylamino)benzoyl]amino]propanoate is CCNc1ccccc1C(=O)NC(C)C(=O)OCC.
What is the InChIKey of ethyl 2-[[2-(ethylamino)benzoyl]amino]propanoate?
The InChIKey is RJMCGALCQVYHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-15-12-9-7-6-8-11(12)13(17)16-10(3)14(18)19-5-2/h6-10,15H,4-5H2,1-3H3,(H,16,17).
What are the key properties of ethyl 2-[[2-(ethylamino)benzoyl]amino]propanoate?
ethyl 2-[[2-(ethylamino)benzoyl]amino]propanoate has a molecular weight of 264.32 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(ethylamino)benzoyl]amino]propanoate is sourced from PubChem (CID 63108435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).