3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide

C23H28N4O4 — CID 54837003

IUPAC3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(=O)N(C)c1ccc(NC(=O)CNc2cccc(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C23H28N4O4/c1-16(28)27(2)20-10-8-18(9-11-20)26-22(29)15-24-19-6-3-5-17(13-19)23(30)25-14-21-7-4-12-31-21/h3,5-6,8-11,13,21,24H,4,7,12,14-15H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyMXMJWXSOEJCSDO-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.63
Rot. Bonds8

About 3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide

3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 54837003) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID54837003
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(=O)N(C)c1ccc(NC(=O)CNc2cccc(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C23H28N4O4/c1-16(28)27(2)20-10-8-18(9-11-20)26-22(29)15-24-19-6-3-5-17(13-19)23(30)25-14-21-7-4-12-31-21/h3,5-6,8-11,13,21,24H,4,7,12,14-15H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyMXMJWXSOEJCSDO-UHFFFAOYSA-N
XLogP2.63
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[4-[[2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54837105
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837074
3-[[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-propylbenzamide
CID 54838784
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842684
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54837066
3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54812361
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836981
3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54820604
3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836925
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]benzamide
CID 54836976
3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837138
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842128

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide (CID 54837003) is 3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide is CC(=O)N(C)c1ccc(NC(=O)CNc2cccc(C(=O)NCC3CCCO3)c2)cc1.
What is the InChIKey of 3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is MXMJWXSOEJCSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-16(28)27(2)20-10-8-18(9-11-20)26-22(29)15-24-19-6-3-5-17(13-19)23(30)25-14-21-7-4-12-31-21/h3,5-6,8-11,13,21,24H,4,7,12,14-15H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of 3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 424.50 g/mol, XLogP of 2.63, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 54837003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).