N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide

C15H25N3O — CID 122080678

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide
SMILESCC(C)CC(C)(CN)NC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H25N3O/c1-11(2)9-15(3,10-16)18-14(19)8-12-4-6-13(17)7-5-12/h4-7,11H,8-10,16-17H2,1-3H3,(H,18,19)
InChIKeyAAZJKHQQQFQUTD-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.69
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide (PubChem CID 122080678) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide
PubChem CID122080678
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide
SMILESCC(C)CC(C)(CN)NC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H25N3O/c1-11(2)9-15(3,10-16)18-14(19)8-12-4-6-13(17)7-5-12/h4-7,11H,8-10,16-17H2,1-3H3,(H,18,19)
InChIKeyAAZJKHQQQFQUTD-UHFFFAOYSA-N
XLogP1.69
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.69
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-(1-amino-2,4-dimethylpentan-2-yl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 119598620
N-(1-amino-2,4-dimethylpentan-2-yl)-2-naphthalen-2-ylacetamide;hydrochloride
CID 119597467
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methylphenyl)acetamide
CID 81424785
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-bromophenyl)acetamide
CID 119599373
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 119597627
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119599640
2-(4-aminophenyl)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride
CID 119820240
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride
CID 119597780
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119598585
N-(1-amino-2,4-dimethylpentan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 119599569
N-(1-amino-2,4-dimethylpentan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 119599005
3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide
CID 122080681

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide (CID 122080678) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide is CC(C)CC(C)(CN)NC(=O)Cc1ccc(N)cc1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide?
The InChIKey is AAZJKHQQQFQUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)9-15(3,10-16)18-14(19)8-12-4-6-13(17)7-5-12/h4-7,11H,8-10,16-17H2,1-3H3,(H,18,19).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide has a molecular weight of 263.38 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide is sourced from PubChem (CID 122080678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).