N-[1-(4-aminophenyl)ethyl]-3,3-dimethylbutanamide

C14H22N2O — CID 43297537

IUPACN-[1-(4-aminophenyl)ethyl]-3,3-dimethylbutanamide
SMILESCC(NC(=O)CC(C)(C)C)c1ccc(N)cc1
InChIInChI=1S/C14H22N2O/c1-10(11-5-7-12(15)8-6-11)16-13(17)9-14(2,3)4/h5-8,10H,9,15H2,1-4H3,(H,16,17)
InChIKeySGKDNZUPHBNTPP-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.88
Rot. Bonds3

About N-[1-(4-aminophenyl)ethyl]-3,3-dimethylbutanamide

N-[1-(4-aminophenyl)ethyl]-3,3-dimethylbutanamide (PubChem CID 43297537) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]-3,3-dimethylbutanamide
PubChem CID43297537
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[1-(4-aminophenyl)ethyl]-3,3-dimethylbutanamide
SMILESCC(NC(=O)CC(C)(C)C)c1ccc(N)cc1
InChIInChI=1S/C14H22N2O/c1-10(11-5-7-12(15)8-6-11)16-13(17)9-14(2,3)4/h5-8,10H,9,15H2,1-4H3,(H,16,17)
InChIKeySGKDNZUPHBNTPP-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.88
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

3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 5156149
N-[1-(4-cyanophenyl)ethyl]-3,3-dimethylbutanamide
CID 47161785
1-(4-aminophenyl)ethylurea
CID 43298080
3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359098
2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 60927303
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359028
N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide
CID 58640419
N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 43297476
N-[1-(4-aminophenyl)ethyl]-2-propoxyacetamide
CID 107937356
N-[1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 78773548
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethylbutanamide
CID 47111685
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-methoxy-3-methylbutanamide
CID 103017375

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]-3,3-dimethylbutanamide (CID 43297537) is N-[1-(4-aminophenyl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]-3,3-dimethylbutanamide is CC(NC(=O)CC(C)(C)C)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is SGKDNZUPHBNTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(11-5-7-12(15)8-6-11)16-13(17)9-14(2,3)4/h5-8,10H,9,15H2,1-4H3,(H,16,17).
What are the key properties of N-[1-(4-aminophenyl)ethyl]-3,3-dimethylbutanamide?
N-[1-(4-aminophenyl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 234.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 43297537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).