N-(4-aminophenyl)-N,2-dimethylbutanamide

C12H18N2O — CID 43114423

IUPACN-(4-aminophenyl)-N,2-dimethylbutanamide
SMILESCCC(C)C(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C12H18N2O/c1-4-9(2)12(15)14(3)11-7-5-10(13)6-8-11/h5-9H,4,13H2,1-3H3
InChIKeyUKJONCVZTQXHOT-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.28
Rot. Bonds3

About N-(4-aminophenyl)-N,2-dimethylbutanamide

N-(4-aminophenyl)-N,2-dimethylbutanamide (PubChem CID 43114423) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(4-aminophenyl)-N,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N,2-dimethylbutanamide
PubChem CID43114423
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(4-aminophenyl)-N,2-dimethylbutanamide
SMILESCCC(C)C(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C12H18N2O/c1-4-9(2)12(15)14(3)11-7-5-10(13)6-8-11/h5-9H,4,13H2,1-3H3
InChIKeyUKJONCVZTQXHOT-UHFFFAOYSA-N
XLogP2.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide
CID 103309029
2-[methyl-(4-propan-2-ylphenyl)carbamoyl]butanoic acid
CID 115185890
N-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide
CID 43375898
3-hydroxy-N-(4-hydroxyphenyl)-N,2-dimethylpropanamide
CID 134339239
3-amino-N,2-dimethyl-N-(4-phenylphenyl)propanamide
CID 115153554
3-amino-4-[methyl(2-methylbutanoyl)amino]benzoic acid
CID 63117690
N-(4-aminophenyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide
CID 43375942
2-amino-N-(4-hydroxyphenyl)-N-methylbutanamide
CID 107734416
3-chloro-N,2-dimethyl-N-(4-methylphenyl)propanamide
CID 62726677
N-[4-(2-aminoethyl)phenyl]-2-ethyl-N-methylbutanamide
CID 28755474
4-amino-N-(4-fluorophenyl)-N,2-dimethylbutanamide
CID 80543840
N-(4-aminophenyl)-N-methyl-2-propan-2-ylsulfinylacetamide
CID 61289454

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N,2-dimethylbutanamide?
The IUPAC name of N-(4-aminophenyl)-N,2-dimethylbutanamide (CID 43114423) is N-(4-aminophenyl)-N,2-dimethylbutanamide.
What is the SMILES notation for N-(4-aminophenyl)-N,2-dimethylbutanamide?
The canonical SMILES for N-(4-aminophenyl)-N,2-dimethylbutanamide is CCC(C)C(=O)N(C)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N,2-dimethylbutanamide?
The InChIKey is UKJONCVZTQXHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-9(2)12(15)14(3)11-7-5-10(13)6-8-11/h5-9H,4,13H2,1-3H3.
What are the key properties of N-(4-aminophenyl)-N,2-dimethylbutanamide?
N-(4-aminophenyl)-N,2-dimethylbutanamide has a molecular weight of 206.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N,2-dimethylbutanamide is sourced from PubChem (CID 43114423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).