3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-tert-butylphenyl)propanamide

C24H32N2O3 — CID 113129770

IUPAC3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-tert-butylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1OC(C)C
InChIInChI=1S/C24H32N2O3/c1-17(2)29-22-10-8-7-9-21(22)26(18(3)27)16-15-23(28)25-20-13-11-19(12-14-20)24(4,5)6/h7-14,17H,15-16H2,1-6H3,(H,25,28)
InChIKeyMFTQDSSRRSFSJA-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.15
Rot. Bonds7

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

3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-tert-butylphenyl)propanamide (PubChem CID 113129770) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-tert-butylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-tert-butylphenyl)propanamide
PubChem CID113129770
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-tert-butylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1OC(C)C
InChIInChI=1S/C24H32N2O3/c1-17(2)29-22-10-8-7-9-21(22)26(18(3)27)16-15-23(28)25-20-13-11-19(12-14-20)24(4,5)6/h7-14,17H,15-16H2,1-6H3,(H,25,28)
InChIKeyMFTQDSSRRSFSJA-UHFFFAOYSA-N
XLogP5.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 113129788
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-ethoxyphenyl)propanamide
CID 113129785
3-(N-acetyl-2-tert-butylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113126454
3-(N-acetyl-2-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 113129331
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
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 113174308
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-(N-acetyl-2-tert-butylanilino)-N-(4-fluorophenyl)propanamide
CID 113126456
3-(N-acetyl-2,5-dimethylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113124393

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-tert-butylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-tert-butylphenyl)propanamide (CID 113129770) is 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-tert-butylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-tert-butylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-tert-butylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1OC(C)C.
What is the InChIKey of 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-tert-butylphenyl)propanamide?
The InChIKey is MFTQDSSRRSFSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-17(2)29-22-10-8-7-9-21(22)26(18(3)27)16-15-23(28)25-20-13-11-19(12-14-20)24(4,5)6/h7-14,17H,15-16H2,1-6H3,(H,25,28).
What are the key properties of 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-tert-butylphenyl)propanamide?
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-tert-butylphenyl)propanamide has a molecular weight of 396.53 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-tert-butylphenyl)propanamide is sourced from PubChem (CID 113129770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).