[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate

C14H19N3O4 — CID 9289524

IUPAC[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate
SMILESCCNC(=O)CNC(=O)COC(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C14H19N3O4/c1-3-16-12(18)7-17-13(19)8-21-14(20)10-5-4-9(2)11(15)6-10/h4-6H,3,7-8,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyKMLFENSJADSPDK-UHFFFAOYSA-N
MW293.32 g/mol
LogP-0.01
Rot. Bonds6

About [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate

[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate (PubChem CID 9289524) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate.

Molecular Properties

Compound Name[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate
PubChem CID9289524
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate
SMILESCCNC(=O)CNC(=O)COC(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C14H19N3O4/c1-3-16-12(18)7-17-13(19)8-21-14(20)10-5-4-9(2)11(15)6-10/h4-6H,3,7-8,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyKMLFENSJADSPDK-UHFFFAOYSA-N
XLogP-0.01
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-(ethylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate
CID 61323136
[2-oxo-2-(propan-2-ylamino)ethyl] 3-amino-4-methylbenzoate
CID 60665621
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228962
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 4-methylbenzoate
CID 9018198
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-propoxybenzoate
CID 8842622
methanamine;methyl 3-amino-4-methylbenzoate
CID 164531340
ethane;methyl 3-amino-4-methylbenzoate
CID 142981906
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 8806757
[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-amino-4-methylbenzoate
CID 9289571
[2-[ethyl(methyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 61320671
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 9289552
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 9338816

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate?
The IUPAC name of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate (CID 9289524) is [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate.
What is the SMILES notation for [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate?
The canonical SMILES for [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate is CCNC(=O)CNC(=O)COC(=O)c1ccc(C)c(N)c1.
What is the InChIKey of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate?
The InChIKey is KMLFENSJADSPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-16-12(18)7-17-13(19)8-21-14(20)10-5-4-9(2)11(15)6-10/h4-6H,3,7-8,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate?
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate has a molecular weight of 293.32 g/mol, XLogP of -0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate is sourced from PubChem (CID 9289524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).