N-(2-amino-4,5-dimethylphenyl)-3,3-dimethylbutanamide

C14H22N2O — CID 28691585

IUPACN-(2-amino-4,5-dimethylphenyl)-3,3-dimethylbutanamide
SMILESCc1cc(N)c(NC(=O)CC(C)(C)C)cc1C
InChIInChI=1S/C14H22N2O/c1-9-6-11(15)12(7-10(9)2)16-13(17)8-14(3,4)5/h6-7H,8,15H2,1-5H3,(H,16,17)
InChIKeyYCPZVQWSHARYFO-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.26
Rot. Bonds2

About N-(2-amino-4,5-dimethylphenyl)-3,3-dimethylbutanamide

N-(2-amino-4,5-dimethylphenyl)-3,3-dimethylbutanamide (PubChem CID 28691585) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethylphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethylphenyl)-3,3-dimethylbutanamide
PubChem CID28691585
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(2-amino-4,5-dimethylphenyl)-3,3-dimethylbutanamide
SMILESCc1cc(N)c(NC(=O)CC(C)(C)C)cc1C
InChIInChI=1S/C14H22N2O/c1-9-6-11(15)12(7-10(9)2)16-13(17)8-14(3,4)5/h6-7H,8,15H2,1-5H3,(H,16,17)
InChIKeyYCPZVQWSHARYFO-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4,5-dimethylphenyl)propanamide
CID 28691521
N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide
CID 16781358
N-(2-amino-4,5-dimethylphenyl)-3-methylbutanamide
CID 28691546
N-(2-amino-5-chlorophenyl)-3,3-dimethylbutanamide
CID 16794866
N-(4-amino-2,5-dimethylphenyl)-4,4-dimethylpentanamide
CID 114212732
N-(2-amino-4,5-dimethylphenyl)-2-propan-2-yloxyacetamide
CID 112601871
N-(2-amino-4,5-dimethylphenyl)-2-(4-fluorophenyl)acetamide
CID 62099099
N-(2-amino-4,5-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205646
N-[2-(5-amino-2-methylanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 120569254
N-(2-amino-4,5-dimethylphenyl)-2-phenoxyacetamide
CID 62100305
N-(2-amino-4,5-dimethylphenyl)-2-(3-bromophenyl)acetamide
CID 62097923
methyl 2-(3,3-dimethylbutanoylamino)-4,5-dimethoxybenzoate
CID 2104071

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethylphenyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(2-amino-4,5-dimethylphenyl)-3,3-dimethylbutanamide (CID 28691585) is N-(2-amino-4,5-dimethylphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2-amino-4,5-dimethylphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(2-amino-4,5-dimethylphenyl)-3,3-dimethylbutanamide is Cc1cc(N)c(NC(=O)CC(C)(C)C)cc1C.
What is the InChIKey of N-(2-amino-4,5-dimethylphenyl)-3,3-dimethylbutanamide?
The InChIKey is YCPZVQWSHARYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9-6-11(15)12(7-10(9)2)16-13(17)8-14(3,4)5/h6-7H,8,15H2,1-5H3,(H,16,17).
What are the key properties of N-(2-amino-4,5-dimethylphenyl)-3,3-dimethylbutanamide?
N-(2-amino-4,5-dimethylphenyl)-3,3-dimethylbutanamide has a molecular weight of 234.34 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethylphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 28691585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).