3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide

C21H27N3O2 — CID 109037274

IUPAC3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide
SMILESCC(=O)Nc1ccc(NCCC(=O)Nc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C21H27N3O2/c1-15(25)23-17-11-9-16(10-12-17)22-14-13-20(26)24-19-8-6-5-7-18(19)21(2,3)4/h5-12,22H,13-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeySJNWQTLYRJRSNF-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.38
Rot. Bonds6

About 3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide

3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide (PubChem CID 109037274) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide
PubChem CID109037274
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide
SMILESCC(=O)Nc1ccc(NCCC(=O)Nc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C21H27N3O2/c1-15(25)23-17-11-9-16(10-12-17)22-14-13-20(26)24-19-8-6-5-7-18(19)21(2,3)4/h5-12,22H,13-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeySJNWQTLYRJRSNF-UHFFFAOYSA-N
XLogP4.38
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide
CID 109037500
N-(2-tert-butylphenyl)-3-(3,5-dimethylanilino)propanamide
CID 109035689
N-(2-tert-butylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109037267
N-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide
CID 109037311
3-(3-bromoanilino)-N-(2-tert-butylphenyl)propanamide
CID 109037286
N-(2-tert-butylphenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109037292
3-(2-tert-butylanilino)-N-(4-cyanophenyl)propanamide
CID 109037353
N-(3-acetamidophenyl)-N'-(2-tert-butylphenyl)propanediamide
CID 108954654
3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide
CID 109037305
methyl 2-[[3-(2-tert-butylanilino)-3-oxopropyl]amino]benzoate
CID 109037275
3-(4-acetamidoanilino)-N-(3-chloro-2-methylphenyl)propanamide
CID 109038281
N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956034

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide?
The IUPAC name of 3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide (CID 109037274) is 3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide.
What is the SMILES notation for 3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide?
The canonical SMILES for 3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide is CC(=O)Nc1ccc(NCCC(=O)Nc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of 3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide?
The InChIKey is SJNWQTLYRJRSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15(25)23-17-11-9-16(10-12-17)22-14-13-20(26)24-19-8-6-5-7-18(19)21(2,3)4/h5-12,22H,13-14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide?
3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide has a molecular weight of 353.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide is sourced from PubChem (CID 109037274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).