ethyl 4-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate

C18H24N2O3 — CID 29470932

IUPACethyl 4-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NCC(=O)NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C18H24N2O3/c1-2-23-18(22)14-7-9-15(10-8-14)19-11-16(21)20-17(12-3-4-12)13-5-6-13/h7-10,12-13,17,19H,2-6,11H2,1H3,(H,20,21)
InChIKeyVZSAGTOPCDSESW-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.58
Rot. Bonds8

About ethyl 4-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate

ethyl 4-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate (PubChem CID 29470932) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is ethyl 4-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate
PubChem CID29470932
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nameethyl 4-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NCC(=O)NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C18H24N2O3/c1-2-23-18(22)14-7-9-15(10-8-14)19-11-16(21)20-17(12-3-4-12)13-5-6-13/h7-10,12-13,17,19H,2-6,11H2,1H3,(H,20,21)
InChIKeyVZSAGTOPCDSESW-UHFFFAOYSA-N
XLogP2.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(cyclopropylmethylamino)benzoate
CID 43654962
ethyl 4-[[2-(butylamino)-2-oxoethyl]amino]benzoate
CID 86908699
ethyl 4-[[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]amino]benzoate
CID 109010573
N-(dicyclopropylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide
CID 29454713
ethyl 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzoate
CID 109007993
ethyl 4-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]benzoate
CID 109010353
ethyl 4-[[2-(cyclopropylamino)acetyl]amino]benzoate
CID 60647219
propyl 4-(dicyclopropylmethylamino)benzoate
CID 43362907
propyl 4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzoate
CID 54835426
ethyl 4-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009646
ethyl 4-[[2-[3-(dimethylamino)propylamino]-2-oxoethyl]amino]benzoate
CID 108995337
ethyl 4-[[2-oxo-2-(pyridin-2-ylamino)ethyl]amino]benzoate
CID 156597569

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate (CID 29470932) is ethyl 4-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate is CCOC(=O)c1ccc(NCC(=O)NC(C2CC2)C2CC2)cc1.
What is the InChIKey of ethyl 4-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate?
The InChIKey is VZSAGTOPCDSESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-2-23-18(22)14-7-9-15(10-8-14)19-11-16(21)20-17(12-3-4-12)13-5-6-13/h7-10,12-13,17,19H,2-6,11H2,1H3,(H,20,21).
What are the key properties of ethyl 4-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate?
ethyl 4-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate has a molecular weight of 316.40 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 29470932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).