methyl 4-[[2-(diethylamino)ethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]benzoate

C25H35N3O3 — CID 142270457

IUPACmethyl 4-[[2-(diethylamino)ethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]benzoate
SMILESCCN(CC)CCN(CC(=O)Nc1c(C)cccc1C)Cc1ccc(C(=O)OC)cc1
InChIInChI=1S/C25H35N3O3/c1-6-27(7-2)15-16-28(17-21-11-13-22(14-12-21)25(30)31-5)18-23(29)26-24-19(3)9-8-10-20(24)4/h8-14H,6-7,15-18H2,1-5H3,(H,26,29)
InChIKeyRIVIXCUKIBMUEF-UHFFFAOYSA-N
MW425.57 g/mol
LogP3.87
Rot. Bonds11

About methyl 4-[[2-(diethylamino)ethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]benzoate

methyl 4-[[2-(diethylamino)ethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]benzoate (PubChem CID 142270457) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is methyl 4-[[2-(diethylamino)ethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(diethylamino)ethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]benzoate
PubChem CID142270457
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Namemethyl 4-[[2-(diethylamino)ethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]benzoate
SMILESCCN(CC)CCN(CC(=O)Nc1c(C)cccc1C)Cc1ccc(C(=O)OC)cc1
InChIInChI=1S/C25H35N3O3/c1-6-27(7-2)15-16-28(17-21-11-13-22(14-12-21)25(30)31-5)18-23(29)26-24-19(3)9-8-10-20(24)4/h8-14H,6-7,15-18H2,1-5H3,(H,26,29)
InChIKeyRIVIXCUKIBMUEF-UHFFFAOYSA-N
XLogP3.87
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-(diethylamino)ethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]benzoate with MolForge

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Related Compounds

bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
3-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]methyl]benzoic acid
CID 122029217
N-(2,6-dimethylphenyl)-2-[ethyl(2-fluoroethyl)amino]acetamide
CID 135223290
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856
methyl 2-[[bis[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]furan-3-carboxylate
CID 24626846
3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid
CID 65062900
N-(2,6-dimethylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78963573
2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
CID 6454431
2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid
CID 65064783
N-(2-amino-6-methylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61444432
2-[(4-chlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2,6-dimethylphenyl)acetamide;dihydrochloride
CID 24832638

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(diethylamino)ethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[2-(diethylamino)ethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]benzoate (CID 142270457) is methyl 4-[[2-(diethylamino)ethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(diethylamino)ethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[2-(diethylamino)ethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]benzoate is CCN(CC)CCN(CC(=O)Nc1c(C)cccc1C)Cc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[[2-(diethylamino)ethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]benzoate?
The InChIKey is RIVIXCUKIBMUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-6-27(7-2)15-16-28(17-21-11-13-22(14-12-21)25(30)31-5)18-23(29)26-24-19(3)9-8-10-20(24)4/h8-14H,6-7,15-18H2,1-5H3,(H,26,29).
What are the key properties of methyl 4-[[2-(diethylamino)ethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]benzoate?
methyl 4-[[2-(diethylamino)ethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]benzoate has a molecular weight of 425.57 g/mol, XLogP of 3.87, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(diethylamino)ethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]benzoate is sourced from PubChem (CID 142270457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).