3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide

C26H28N4O3 — CID 54811009

IUPAC3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(=O)N(C)c1ccc(NCC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)cc1
InChIInChI=1S/C26H28N4O3/c1-18(20-8-5-4-6-9-20)28-26(33)21-10-7-11-23(16-21)29-25(32)17-27-22-12-14-24(15-13-22)30(3)19(2)31/h4-16,18,27H,17H2,1-3H3,(H,28,33)(H,29,32)
InChIKeyHNUIYELUFFVDQN-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.21
Rot. Bonds8

About 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide

3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54811009) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54811009
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(=O)N(C)c1ccc(NCC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)cc1
InChIInChI=1S/C26H28N4O3/c1-18(20-8-5-4-6-9-20)28-26(33)21-10-7-11-23(16-21)29-25(32)17-27-22-12-14-24(15-13-22)30(3)19(2)31/h4-16,18,27H,17H2,1-3H3,(H,28,33)(H,29,32)
InChIKeyHNUIYELUFFVDQN-UHFFFAOYSA-N
XLogP4.21
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842173
4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846430
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54834304
3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842211
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]benzamide
CID 54811372
4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54838229
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990
N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54836161
3-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54842058
N-(1-phenylethyl)-3-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
CID 54811860
3-[[2-[4-(butan-2-ylcarbamoyl)anilino]acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54837059

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide (CID 54811009) is 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide is CC(=O)N(C)c1ccc(NCC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)cc1.
What is the InChIKey of 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is HNUIYELUFFVDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-18(20-8-5-4-6-9-20)28-26(33)21-10-7-11-23(16-21)29-25(32)17-27-22-12-14-24(15-13-22)30(3)19(2)31/h4-16,18,27H,17H2,1-3H3,(H,28,33)(H,29,32).
What are the key properties of 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 444.54 g/mol, XLogP of 4.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54811009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).