methyl 4-[acetyl-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]amino]benzoate

C21H24N2O4 — CID 113176496

IUPACmethyl 4-[acetyl-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]amino]benzoate
SMILESCCN(C(=O)CN(C(C)=O)c1ccc(C(=O)OC)cc1)c1cccc(C)c1
InChIInChI=1S/C21H24N2O4/c1-5-22(19-8-6-7-15(2)13-19)20(25)14-23(16(3)24)18-11-9-17(10-12-18)21(26)27-4/h6-13H,5,14H2,1-4H3
InChIKeyJMANEJUSSAEINR-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.19
Rot. Bonds6

About methyl 4-[acetyl-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]amino]benzoate

methyl 4-[acetyl-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]amino]benzoate (PubChem CID 113176496) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is methyl 4-[acetyl-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[acetyl-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]amino]benzoate
PubChem CID113176496
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Namemethyl 4-[acetyl-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]amino]benzoate
SMILESCCN(C(=O)CN(C(C)=O)c1ccc(C(=O)OC)cc1)c1cccc(C)c1
InChIInChI=1S/C21H24N2O4/c1-5-22(19-8-6-7-15(2)13-19)20(25)14-23(16(3)24)18-11-9-17(10-12-18)21(26)27-4/h6-13H,5,14H2,1-4H3
InChIKeyJMANEJUSSAEINR-UHFFFAOYSA-N
XLogP3.19
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[acetyl-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]amino]benzoate with MolForge

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Related Compounds

2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
2-(N-acetyl-3,4-dichloroanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113179532
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113172485
methyl 3-[acetyl-[2-(N-ethylanilino)-2-oxoethyl]amino]-4-chlorobenzoate
CID 113176562
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113180492
3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113125493
2-(N-acetyl-3-methylanilino)-N,N-dipropylacetamide
CID 113167538
2-(N-acetyl-5-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113171988
methyl 3-[[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate
CID 109041464
2-[acetyl(3-methoxypropyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113160180
3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127504
methyl 4-[[4-[ethyl-(3-methylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109178670

Frequently Asked Questions

What is the IUPAC name of methyl 4-[acetyl-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 4-[acetyl-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]amino]benzoate (CID 113176496) is methyl 4-[acetyl-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 4-[acetyl-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 4-[acetyl-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]amino]benzoate is CCN(C(=O)CN(C(C)=O)c1ccc(C(=O)OC)cc1)c1cccc(C)c1.
What is the InChIKey of methyl 4-[acetyl-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]amino]benzoate?
The InChIKey is JMANEJUSSAEINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-5-22(19-8-6-7-15(2)13-19)20(25)14-23(16(3)24)18-11-9-17(10-12-18)21(26)27-4/h6-13H,5,14H2,1-4H3.
What are the key properties of methyl 4-[acetyl-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]amino]benzoate?
methyl 4-[acetyl-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]amino]benzoate has a molecular weight of 368.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[acetyl-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 113176496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).