[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(dimethylamino)benzoate

C14H18N2O5 — CID 2518674

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(dimethylamino)benzoate
SMILESCCOC(=O)NC(=O)COC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H18N2O5/c1-4-20-14(19)15-12(17)9-21-13(18)10-6-5-7-11(8-10)16(2)3/h5-8H,4,9H2,1-3H3,(H,15,17,19)
InChIKeySHWOSLMWGZGJGD-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.18
Rot. Bonds5

About [2-(ethoxycarbonylamino)-2-oxoethyl] 3-(dimethylamino)benzoate

[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(dimethylamino)benzoate (PubChem CID 2518674) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] 3-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(dimethylamino)benzoate
PubChem CID2518674
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(dimethylamino)benzoate
SMILESCCOC(=O)NC(=O)COC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H18N2O5/c1-4-20-14(19)15-12(17)9-21-13(18)10-6-5-7-11(8-10)16(2)3/h5-8H,4,9H2,1-3H3,(H,15,17,19)
InChIKeySHWOSLMWGZGJGD-UHFFFAOYSA-N
XLogP1.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(ethoxycarbonylamino)-2-oxoethyl] benzoate
CID 2516974
[2-(3,5-dichloroanilino)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 7261040
[2-oxo-2-(pentylamino)ethyl] 3-(dimethylamino)benzoate
CID 9228871
[2-(2-methoxyethylamino)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2518580
[2-(benzylamino)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2350078
phenacyl 3-(dimethylamino)benzoate
CID 624872
[2-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 9228820
[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylamino)benzoate
CID 9228838
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 8529565
methyl 2-[[2-[3-(dimethylamino)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2518559
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 7260860
[2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 9228812

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 3-(dimethylamino)benzoate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 3-(dimethylamino)benzoate (CID 2518674) is [2-(ethoxycarbonylamino)-2-oxoethyl] 3-(dimethylamino)benzoate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] 3-(dimethylamino)benzoate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] 3-(dimethylamino)benzoate is CCOC(=O)NC(=O)COC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] 3-(dimethylamino)benzoate?
The InChIKey is SHWOSLMWGZGJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-4-20-14(19)15-12(17)9-21-13(18)10-6-5-7-11(8-10)16(2)3/h5-8H,4,9H2,1-3H3,(H,15,17,19).
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] 3-(dimethylamino)benzoate?
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(dimethylamino)benzoate has a molecular weight of 294.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] 3-(dimethylamino)benzoate is sourced from PubChem (CID 2518674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).