ethyl 2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoate

C19H29N3O4 — CID 71853615

IUPACethyl 2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoate
SMILESCCOC(=O)C(C)N(C)CC(=O)Nc1cccc(C(=O)N(CC)CC)c1
InChIInChI=1S/C19H29N3O4/c1-6-22(7-2)18(24)15-10-9-11-16(12-15)20-17(23)13-21(5)14(4)19(25)26-8-3/h9-12,14H,6-8,13H2,1-5H3,(H,20,23)
InChIKeyPTXVXPIXXLZWQZ-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.99
Rot. Bonds9

About ethyl 2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoate

ethyl 2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoate (PubChem CID 71853615) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is ethyl 2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoate
PubChem CID71853615
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Nameethyl 2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoate
SMILESCCOC(=O)C(C)N(C)CC(=O)Nc1cccc(C(=O)N(CC)CC)c1
InChIInChI=1S/C19H29N3O4/c1-6-22(7-2)18(24)15-10-9-11-16(12-15)20-17(23)13-21(5)14(4)19(25)26-8-3/h9-12,14H,6-8,13H2,1-5H3,(H,20,23)
InChIKeyPTXVXPIXXLZWQZ-UHFFFAOYSA-N
XLogP1.99
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913546
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
4-O-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 9015295
N,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 40700702
ethyl 3-[[2-(dimethylamino)acetyl]amino]benzoate;hydrochloride
CID 70000675
3-[[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide
CID 8553890
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
3-[[2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide
CID 8805097
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 9230199
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 9348351
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 54837209

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoate?
The IUPAC name of ethyl 2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoate (CID 71853615) is ethyl 2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoate.
What is the SMILES notation for ethyl 2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoate?
The canonical SMILES for ethyl 2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoate is CCOC(=O)C(C)N(C)CC(=O)Nc1cccc(C(=O)N(CC)CC)c1.
What is the InChIKey of ethyl 2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoate?
The InChIKey is PTXVXPIXXLZWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-6-22(7-2)18(24)15-10-9-11-16(12-15)20-17(23)13-21(5)14(4)19(25)26-8-3/h9-12,14H,6-8,13H2,1-5H3,(H,20,23).
What are the key properties of ethyl 2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoate?
ethyl 2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoate has a molecular weight of 363.46 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoate is sourced from PubChem (CID 71853615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).