N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide

C14H23N3O — CID 122080857

IUPACN-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide
SMILESCCC(N)(CC)CNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-3-14(16,4-2)10-17-13(18)9-11-5-7-12(15)8-6-11/h5-8H,3-4,9-10,15-16H2,1-2H3,(H,17,18)
InChIKeyFIOBAFSILPNZBJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.45
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide

N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide (PubChem CID 122080857) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide
PubChem CID122080857
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide
SMILESCCC(N)(CC)CNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-3-14(16,4-2)10-17-13(18)9-11-5-7-12(15)8-6-11/h5-8H,3-4,9-10,15-16H2,1-2H3,(H,17,18)
InChIKeyFIOBAFSILPNZBJ-UHFFFAOYSA-N
XLogP1.45
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide
CID 81484294
N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 119261247
N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide
CID 81484734
N-(2-amino-2-ethylbutyl)-2-(3,4-dimethylphenyl)acetamide
CID 81484732
2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103911
N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide;hydrochloride
CID 119642438
3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 103809503
N-(2-amino-2-ethylbutyl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 119641229
N-(2-amino-2-ethylbutyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119641880
2-(4-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide
CID 113266939
N-(2-amino-2-ethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 119641340
[1-[[2-(4-aminophenyl)acetyl]amino]-2-methylpropan-2-yl] acetate
CID 174637414

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide (CID 122080857) is N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide is CCC(N)(CC)CNC(=O)Cc1ccc(N)cc1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide?
The InChIKey is FIOBAFSILPNZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-14(16,4-2)10-17-13(18)9-11-5-7-12(15)8-6-11/h5-8H,3-4,9-10,15-16H2,1-2H3,(H,17,18).
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide?
N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide has a molecular weight of 249.36 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide is sourced from PubChem (CID 122080857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).