N-(2-tert-butylphenyl)-3-(3,5-dimethylanilino)propanamide

C21H28N2O — CID 109035689

IUPACN-(2-tert-butylphenyl)-3-(3,5-dimethylanilino)propanamide
SMILESCc1cc(C)cc(NCCC(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C21H28N2O/c1-15-12-16(2)14-17(13-15)22-11-10-20(24)23-19-9-7-6-8-18(19)21(3,4)5/h6-9,12-14,22H,10-11H2,1-5H3,(H,23,24)
InChIKeyJTGCHDNJZRXUBC-UHFFFAOYSA-N
MW324.47 g/mol
LogP5.04
Rot. Bonds5

About N-(2-tert-butylphenyl)-3-(3,5-dimethylanilino)propanamide

N-(2-tert-butylphenyl)-3-(3,5-dimethylanilino)propanamide (PubChem CID 109035689) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-3-(3,5-dimethylanilino)propanamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-3-(3,5-dimethylanilino)propanamide
PubChem CID109035689
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-(2-tert-butylphenyl)-3-(3,5-dimethylanilino)propanamide
SMILESCc1cc(C)cc(NCCC(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C21H28N2O/c1-15-12-16(2)14-17(13-15)22-11-10-20(24)23-19-9-7-6-8-18(19)21(3,4)5/h6-9,12-14,22H,10-11H2,1-5H3,(H,23,24)
InChIKeyJTGCHDNJZRXUBC-UHFFFAOYSA-N
XLogP5.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromoanilino)-N-(2-tert-butylphenyl)propanamide
CID 109037286
3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide
CID 109037274
N-(2-tert-butylphenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109037292
3-(3,5-dimethylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 109035686
N-(2-tert-butylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109037267
N-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide
CID 109037311
3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide
CID 109037305
methyl 2-[[3-(2-tert-butylanilino)-3-oxopropyl]amino]benzoate
CID 109037275
3-(3-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033964
N-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide
CID 109035743
N-(2-bromophenyl)-3-(3-methylanilino)propanamide
CID 109034300
2-[2-(2-tert-butylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 18083809

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-3-(3,5-dimethylanilino)propanamide?
The IUPAC name of N-(2-tert-butylphenyl)-3-(3,5-dimethylanilino)propanamide (CID 109035689) is N-(2-tert-butylphenyl)-3-(3,5-dimethylanilino)propanamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-3-(3,5-dimethylanilino)propanamide?
The canonical SMILES for N-(2-tert-butylphenyl)-3-(3,5-dimethylanilino)propanamide is Cc1cc(C)cc(NCCC(=O)Nc2ccccc2C(C)(C)C)c1.
What is the InChIKey of N-(2-tert-butylphenyl)-3-(3,5-dimethylanilino)propanamide?
The InChIKey is JTGCHDNJZRXUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-15-12-16(2)14-17(13-15)22-11-10-20(24)23-19-9-7-6-8-18(19)21(3,4)5/h6-9,12-14,22H,10-11H2,1-5H3,(H,23,24).
What are the key properties of N-(2-tert-butylphenyl)-3-(3,5-dimethylanilino)propanamide?
N-(2-tert-butylphenyl)-3-(3,5-dimethylanilino)propanamide has a molecular weight of 324.47 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-3-(3,5-dimethylanilino)propanamide is sourced from PubChem (CID 109035689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).