N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide

C18H28N2O2 — CID 151797393

IUPACN-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(C(=O)CC(C)(C)C)cc1N
InChIInChI=1S/C18H28N2O2/c1-7-18(5,6)16(22)20-14-9-8-12(10-13(14)19)15(21)11-17(2,3)4/h8-10H,7,11,19H2,1-6H3,(H,20,22)
InChIKeyRXWRHIARIMBLMH-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.26
Rot. Bonds5

About N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide

N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide (PubChem CID 151797393) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide
PubChem CID151797393
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(C(=O)CC(C)(C)C)cc1N
InChIInChI=1S/C18H28N2O2/c1-7-18(5,6)16(22)20-14-9-8-12(10-13(14)19)15(21)11-17(2,3)4/h8-10H,7,11,19H2,1-6H3,(H,20,22)
InChIKeyRXWRHIARIMBLMH-UHFFFAOYSA-N
XLogP4.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide
CID 28691399
N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide
CID 16781358
N-(4-amino-2,5-dimethylphenyl)-2,2-dimethylbutanamide
CID 103144437
N-[3-amino-4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-2,2-dimethylbutanamide
CID 89411567
N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide
CID 4629651
1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one
CID 24724011
N-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide
CID 4634905
3-amino-4-(ethoxycarbonylamino)benzoic acid
CID 63117054
N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide
CID 64919411
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-2,2-dimethylbutanamide
CID 81271509
3-amino-4-(2,2-dimethylpropylamino)benzamide
CID 61166870
3-amino-4-(3-ethylpentan-3-ylamino)benzamide
CID 65039779

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide (CID 151797393) is N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1ccc(C(=O)CC(C)(C)C)cc1N.
What is the InChIKey of N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide?
The InChIKey is RXWRHIARIMBLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-7-18(5,6)16(22)20-14-9-8-12(10-13(14)19)15(21)11-17(2,3)4/h8-10H,7,11,19H2,1-6H3,(H,20,22).
What are the key properties of N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide?
N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide has a molecular weight of 304.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 151797393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).