methyl 3-[[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate

C20H24N2O3 — CID 109041464

IUPACmethyl 3-[[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate
SMILESCCN(C(=O)CCNc1cccc(C(=O)OC)c1)c1cccc(C)c1
InChIInChI=1S/C20H24N2O3/c1-4-22(18-10-5-7-15(2)13-18)19(23)11-12-21-17-9-6-8-16(14-17)20(24)25-3/h5-10,13-14,21H,4,11-12H2,1-3H3
InChIKeyQMRKPENWABLZQF-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.64
Rot. Bonds7

About methyl 3-[[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate

methyl 3-[[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate (PubChem CID 109041464) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl 3-[[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate
PubChem CID109041464
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namemethyl 3-[[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate
SMILESCCN(C(=O)CCNc1cccc(C(=O)OC)c1)c1cccc(C)c1
InChIInChI=1S/C20H24N2O3/c1-4-22(18-10-5-7-15(2)13-18)19(23)11-12-21-17-9-6-8-16(14-17)20(24)25-3/h5-10,13-14,21H,4,11-12H2,1-3H3
InChIKeyQMRKPENWABLZQF-UHFFFAOYSA-N
XLogP3.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[3-(diethylamino)-3-oxopropyl]amino]benzoate
CID 109030650
methyl 3-[[3-(dipropylamino)-3-oxopropyl]amino]benzoate
CID 109033062
3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 109035243
N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)propanamide
CID 109042848
methyl 4-[acetyl-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]amino]benzoate
CID 113176496
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate
CID 60737731
N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide
CID 109032323
N-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide
CID 109012170
2-(3-acetamidoanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 109009943
N-ethyl-3-(4-methylanilino)-N-phenylpropanamide
CID 109034444
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019406

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate?
The IUPAC name of methyl 3-[[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate (CID 109041464) is methyl 3-[[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate?
The canonical SMILES for methyl 3-[[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate is CCN(C(=O)CCNc1cccc(C(=O)OC)c1)c1cccc(C)c1.
What is the InChIKey of methyl 3-[[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate?
The InChIKey is QMRKPENWABLZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-22(18-10-5-7-15(2)13-18)19(23)11-12-21-17-9-6-8-16(14-17)20(24)25-3/h5-10,13-14,21H,4,11-12H2,1-3H3.
What are the key properties of methyl 3-[[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate?
methyl 3-[[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate has a molecular weight of 340.42 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate is sourced from PubChem (CID 109041464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).