4-(4-aminophenyl)-N-tert-butyl-4-oxobutanamide

C14H20N2O2 — CID 94267745

IUPAC4-(4-aminophenyl)-N-tert-butyl-4-oxobutanamide
SMILESCC(C)(C)NC(=O)CCC(=O)c1ccc(N)cc1
InChIInChI=1S/C14H20N2O2/c1-14(2,3)16-13(18)9-8-12(17)10-4-6-11(15)7-5-10/h4-7H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyOZNNRBNVMFFKIB-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.15
Rot. Bonds4

About 4-(4-aminophenyl)-N-tert-butyl-4-oxobutanamide

4-(4-aminophenyl)-N-tert-butyl-4-oxobutanamide (PubChem CID 94267745) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(4-aminophenyl)-N-tert-butyl-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-aminophenyl)-N-tert-butyl-4-oxobutanamide
PubChem CID94267745
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-(4-aminophenyl)-N-tert-butyl-4-oxobutanamide
SMILESCC(C)(C)NC(=O)CCC(=O)c1ccc(N)cc1
InChIInChI=1S/C14H20N2O2/c1-14(2,3)16-13(18)9-8-12(17)10-4-6-11(15)7-5-10/h4-7H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyOZNNRBNVMFFKIB-UHFFFAOYSA-N
XLogP2.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.15
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

4-(3-aminophenyl)-N-tert-butyl-4-oxobutanamide
CID 94267729
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 94282659
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255
N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 119523024
N-tert-butyl-4-(2,4-dimethylphenyl)-4-oxobutanamide
CID 94273837
2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2-methylpropanoic acid
CID 108808131
4-(4-aminoanilino)-1-(4-aminophenyl)butan-1-one
CID 58212344
2-(4-amino-N-ethylanilino)-N-tert-butylacetamide
CID 63233665
1-(4-aminophenyl)propan-1-one
CID 6270
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(4-ethylphenyl)-4-oxobutanamide;hydrochloride
CID 119606616
1-(4-aminophenyl)-4-hydroxybutan-1-one
CID 53407117
N-[3-(aminomethyl)pentan-3-yl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 119569744

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-N-tert-butyl-4-oxobutanamide?
The IUPAC name of 4-(4-aminophenyl)-N-tert-butyl-4-oxobutanamide (CID 94267745) is 4-(4-aminophenyl)-N-tert-butyl-4-oxobutanamide.
What is the SMILES notation for 4-(4-aminophenyl)-N-tert-butyl-4-oxobutanamide?
The canonical SMILES for 4-(4-aminophenyl)-N-tert-butyl-4-oxobutanamide is CC(C)(C)NC(=O)CCC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-(4-aminophenyl)-N-tert-butyl-4-oxobutanamide?
The InChIKey is OZNNRBNVMFFKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,3)16-13(18)9-8-12(17)10-4-6-11(15)7-5-10/h4-7H,8-9,15H2,1-3H3,(H,16,18).
What are the key properties of 4-(4-aminophenyl)-N-tert-butyl-4-oxobutanamide?
4-(4-aminophenyl)-N-tert-butyl-4-oxobutanamide has a molecular weight of 248.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-N-tert-butyl-4-oxobutanamide is sourced from PubChem (CID 94267745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).