3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide

C23H30N2O4 — CID 113129788

IUPAC3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(OC(C)C)cc1)c1ccccc1OC(C)C
InChIInChI=1S/C23H30N2O4/c1-16(2)28-20-12-10-19(11-13-20)24-23(27)14-15-25(18(5)26)21-8-6-7-9-22(21)29-17(3)4/h6-13,16-17H,14-15H2,1-5H3,(H,24,27)
InChIKeyQPVQSCXHHSWFPT-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.64
Rot. Bonds9

About 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide

3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 113129788) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID113129788
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(OC(C)C)cc1)c1ccccc1OC(C)C
InChIInChI=1S/C23H30N2O4/c1-16(2)28-20-12-10-19(11-13-20)24-23(27)14-15-25(18(5)26)21-8-6-7-9-22(21)29-17(3)4/h6-13,16-17H,14-15H2,1-5H3,(H,24,27)
InChIKeyQPVQSCXHHSWFPT-UHFFFAOYSA-N
XLogP4.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-ethoxyphenyl)propanamide
CID 113129785
3-(N-acetyl-2-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 113129331
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-tert-butylphenyl)propanamide
CID 113129770
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 113174308
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113129799
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide
CID 113129771
3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113128795
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide
CID 113129740
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-chlorophenyl)acetamide
CID 113174292
3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113115249
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113121305
3-[acetyl(1-phenylethyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113119018

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide (CID 113129788) is 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(OC(C)C)cc1)c1ccccc1OC(C)C.
What is the InChIKey of 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is QPVQSCXHHSWFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-16(2)28-20-12-10-19(11-13-20)24-23(27)14-15-25(18(5)26)21-8-6-7-9-22(21)29-17(3)4/h6-13,16-17H,14-15H2,1-5H3,(H,24,27).
What are the key properties of 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 398.50 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 113129788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).