methyl 2-[acetyl-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]amino]benzoate

C22H26N2O4 — CID 113176097

IUPACmethyl 2-[acetyl-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(CC(=O)N(Cc1ccccc1)C(C)C)C(C)=O
InChIInChI=1S/C22H26N2O4/c1-16(2)23(14-18-10-6-5-7-11-18)21(26)15-24(17(3)25)20-13-9-8-12-19(20)22(27)28-4/h5-13,16H,14-15H2,1-4H3
InChIKeySVLJUSUFDRHNSE-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.26
Rot. Bonds7

About methyl 2-[acetyl-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]amino]benzoate

methyl 2-[acetyl-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]amino]benzoate (PubChem CID 113176097) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is methyl 2-[acetyl-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[acetyl-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]amino]benzoate
PubChem CID113176097
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Namemethyl 2-[acetyl-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(CC(=O)N(Cc1ccccc1)C(C)C)C(C)=O
InChIInChI=1S/C22H26N2O4/c1-16(2)23(14-18-10-6-5-7-11-18)21(26)15-24(17(3)25)20-13-9-8-12-19(20)22(27)28-4/h5-13,16H,14-15H2,1-4H3
InChIKeySVLJUSUFDRHNSE-UHFFFAOYSA-N
XLogP3.26
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[acetyl-[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate
CID 113176071
2-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-propan-2-ylacetamide
CID 113178994
ethyl 2-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]benzoate
CID 113180526
methyl 2-[acetyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]benzoate
CID 113176098
methyl 2-[[3-[benzyl(propan-2-yl)amino]-3-oxopropanoyl]amino]benzoate
CID 108951728
methyl 2-[acetyl-[3-[benzyl(ethyl)amino]-3-oxopropyl]amino]benzoate
CID 113131236
2-(N-acetyl-4-propan-2-ylanilino)-N-benzyl-N-propan-2-ylacetamide
CID 113169817
methyl 4-[acetyl-[3-[benzyl(propan-2-yl)amino]-3-oxopropyl]amino]benzoate
CID 113131513
methyl 2-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]benzoate
CID 113061873
3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide
CID 113126703
2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113159086
N-benzyl-N-propan-2-ylacetamide
CID 23534449

Frequently Asked Questions

What is the IUPAC name of methyl 2-[acetyl-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 2-[acetyl-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]amino]benzoate (CID 113176097) is methyl 2-[acetyl-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 2-[acetyl-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 2-[acetyl-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]amino]benzoate is COC(=O)c1ccccc1N(CC(=O)N(Cc1ccccc1)C(C)C)C(C)=O.
What is the InChIKey of methyl 2-[acetyl-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]amino]benzoate?
The InChIKey is SVLJUSUFDRHNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-16(2)23(14-18-10-6-5-7-11-18)21(26)15-24(17(3)25)20-13-9-8-12-19(20)22(27)28-4/h5-13,16H,14-15H2,1-4H3.
What are the key properties of methyl 2-[acetyl-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]amino]benzoate?
methyl 2-[acetyl-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]amino]benzoate has a molecular weight of 382.46 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[acetyl-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 113176097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).