3-methyl-N-(2-methylpropyl)-4-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide

C23H28N2O4 — CID 49340244

IUPAC3-methyl-N-(2-methylpropyl)-4-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)cc1
InChIInChI=1S/C23H28N2O4/c1-5-21(26)17-6-9-19(10-7-17)29-14-22(27)25-20-11-8-18(12-16(20)4)23(28)24-13-15(2)3/h6-12,15H,5,13-14H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyCDSDQTWRTSZFIY-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.99
Rot. Bonds9

About 3-methyl-N-(2-methylpropyl)-4-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide

3-methyl-N-(2-methylpropyl)-4-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide (PubChem CID 49340244) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-4-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-4-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
PubChem CID49340244
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name3-methyl-N-(2-methylpropyl)-4-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)cc1
InChIInChI=1S/C23H28N2O4/c1-5-21(26)17-6-9-19(10-7-17)29-14-22(27)25-20-11-8-18(12-16(20)4)23(28)24-13-15(2)3/h6-12,15H,5,13-14H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyCDSDQTWRTSZFIY-UHFFFAOYSA-N
XLogP3.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(3-fluorophenoxy)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49340250
3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide
CID 86901347
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
N-(2-chloro-4-iodophenyl)-2-(4-propanoylphenoxy)acetamide
CID 55677230
N-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide
CID 2711563
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 7788075
ethyl 4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]benzoate
CID 34568390
4-[2-(2,4-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 4026014
N-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide
CID 120828053
4-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49397345
N-(2,5-dibromophenyl)-2-(4-propanoylphenoxy)acetamide
CID 39166764
2-[4-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-3-methylphenoxy]acetic acid
CID 120524790

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-4-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-4-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide (CID 49340244) is 3-methyl-N-(2-methylpropyl)-4-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-4-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-4-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide is CCC(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)cc1.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-4-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide?
The InChIKey is CDSDQTWRTSZFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-5-21(26)17-6-9-19(10-7-17)29-14-22(27)25-20-11-8-18(12-16(20)4)23(28)24-13-15(2)3/h6-12,15H,5,13-14H2,1-4H3,(H,24,28)(H,25,27).
What are the key properties of 3-methyl-N-(2-methylpropyl)-4-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide?
3-methyl-N-(2-methylpropyl)-4-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide has a molecular weight of 396.49 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-4-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 49340244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).