methyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate

C20H24N2O4 — CID 54817038

IUPACmethyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate
SMILESCCC(C)Oc1cccc(NC(=O)CNc2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C20H24N2O4/c1-4-14(2)26-18-7-5-6-17(12-18)22-19(23)13-21-16-10-8-15(9-11-16)20(24)25-3/h5-12,14,21H,4,13H2,1-3H3,(H,22,23)
InChIKeyCXXOJFCQWMOGRT-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.70
Rot. Bonds8

About methyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate

methyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate (PubChem CID 54817038) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is methyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate
PubChem CID54817038
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Namemethyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate
SMILESCCC(C)Oc1cccc(NC(=O)CNc2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C20H24N2O4/c1-4-14(2)26-18-7-5-6-17(12-18)22-19(23)13-21-16-10-8-15(9-11-16)20(24)25-3/h5-12,14,21H,4,13H2,1-3H3,(H,22,23)
InChIKeyCXXOJFCQWMOGRT-UHFFFAOYSA-N
XLogP3.70
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835772
N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide
CID 54812451
methyl 4-[(3-butan-2-yloxyphenyl)carbamoyl]benzoate
CID 17178329
N-(3-butan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834127
N-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820106
4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54829387
methyl 4-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate
CID 54817060
N-(3-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide
CID 54815838
3-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-methylbenzamide
CID 54829841
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839942
4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propylbenzamide
CID 54829612
N-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide
CID 54830125

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate (CID 54817038) is methyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate is CCC(C)Oc1cccc(NC(=O)CNc2ccc(C(=O)OC)cc2)c1.
What is the InChIKey of methyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate?
The InChIKey is CXXOJFCQWMOGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-4-14(2)26-18-7-5-6-17(12-18)22-19(23)13-21-16-10-8-15(9-11-16)20(24)25-3/h5-12,14,21H,4,13H2,1-3H3,(H,22,23).
What are the key properties of methyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate?
methyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate has a molecular weight of 356.42 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 54817038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).