[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate

C15H21N3O4 — CID 9228996

IUPAC[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
SMILESCN(C)C(=O)CNC(=O)COC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H21N3O4/c1-17(2)12-7-5-11(6-8-12)15(21)22-10-13(19)16-9-14(20)18(3)4/h5-8H,9-10H2,1-4H3,(H,16,19)
InChIKeySLYQJIYWOQECBH-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.11
Rot. Bonds6

About [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate

[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate (PubChem CID 9228996) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
PubChem CID9228996
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
SMILESCN(C)C(=O)CNC(=O)COC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H21N3O4/c1-17(2)12-7-5-11(6-8-12)15(21)22-10-13(19)16-9-14(20)18(3)4/h5-8H,9-10H2,1-4H3,(H,16,19)
InChIKeySLYQJIYWOQECBH-UHFFFAOYSA-N
XLogP0.11
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228962
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018443
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519187
2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate
CID 12811915
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519513
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 8885400
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619530
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519354
[2-(4-fluoroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519427
[2-(3,5-dimethylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519415
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-bromobenzoate
CID 2103505
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 4-phenoxybenzoate
CID 9009322

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate?
The IUPAC name of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate (CID 9228996) is [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate.
What is the SMILES notation for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate?
The canonical SMILES for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate is CN(C)C(=O)CNC(=O)COC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate?
The InChIKey is SLYQJIYWOQECBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-17(2)12-7-5-11(6-8-12)15(21)22-10-13(19)16-9-14(20)18(3)4/h5-8H,9-10H2,1-4H3,(H,16,19).
What are the key properties of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate?
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate has a molecular weight of 307.35 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate is sourced from PubChem (CID 9228996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).