2-(4-aminophenyl)-2-methyl-N-(4-methylhexan-2-yl)propanamide

C17H28N2O — CID 80556155

IUPAC2-(4-aminophenyl)-2-methyl-N-(4-methylhexan-2-yl)propanamide
SMILESCCC(C)CC(C)NC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C17H28N2O/c1-6-12(2)11-13(3)19-16(20)17(4,5)14-7-9-15(18)10-8-14/h7-10,12-13H,6,11,18H2,1-5H3,(H,19,20)
InChIKeyYBPPTIPLAZZPRJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.49
Rot. Bonds6

About 2-(4-aminophenyl)-2-methyl-N-(4-methylhexan-2-yl)propanamide

2-(4-aminophenyl)-2-methyl-N-(4-methylhexan-2-yl)propanamide (PubChem CID 80556155) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-methyl-N-(4-methylhexan-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-methyl-N-(4-methylhexan-2-yl)propanamide
PubChem CID80556155
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(4-aminophenyl)-2-methyl-N-(4-methylhexan-2-yl)propanamide
SMILESCCC(C)CC(C)NC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C17H28N2O/c1-6-12(2)11-13(3)19-16(20)17(4,5)14-7-9-15(18)10-8-14/h7-10,12-13H,6,11,18H2,1-5H3,(H,19,20)
InChIKeyYBPPTIPLAZZPRJ-UHFFFAOYSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.49
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

2-(4-aminophenyl)-N-(4-hydroxybutan-2-yl)-2-methylpropanamide
CID 83176249
2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide
CID 104828198
2-(4-aminophenyl)-N-hexan-3-yl-2-methylpropanamide
CID 80556865
(2S)-2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methylpentanoic acid
CID 80555300
2-(4-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-methylpropanamide
CID 80556063
(2R)-2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-3-hydroxypropanoic acid
CID 80751613
2-(4-aminophenyl)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylpropanamide
CID 80555090
(2S)-2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-3,3-dimethylbutanoic acid
CID 80555297
2-(4-aminophenyl)-N-hex-1-yn-3-yl-2-methylpropanamide
CID 106230555
3-[[[2-(4-aminophenyl)-2-methylpropanoyl]amino]methyl]pentanoic acid
CID 81065786
N-(1-aminopropan-2-yl)-2-methyl-2-phenylpropanamide
CID 63731541
2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide
CID 80556154

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-methyl-N-(4-methylhexan-2-yl)propanamide?
The IUPAC name of 2-(4-aminophenyl)-2-methyl-N-(4-methylhexan-2-yl)propanamide (CID 80556155) is 2-(4-aminophenyl)-2-methyl-N-(4-methylhexan-2-yl)propanamide.
What is the SMILES notation for 2-(4-aminophenyl)-2-methyl-N-(4-methylhexan-2-yl)propanamide?
The canonical SMILES for 2-(4-aminophenyl)-2-methyl-N-(4-methylhexan-2-yl)propanamide is CCC(C)CC(C)NC(=O)C(C)(C)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-2-methyl-N-(4-methylhexan-2-yl)propanamide?
The InChIKey is YBPPTIPLAZZPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-12(2)11-13(3)19-16(20)17(4,5)14-7-9-15(18)10-8-14/h7-10,12-13H,6,11,18H2,1-5H3,(H,19,20).
What are the key properties of 2-(4-aminophenyl)-2-methyl-N-(4-methylhexan-2-yl)propanamide?
2-(4-aminophenyl)-2-methyl-N-(4-methylhexan-2-yl)propanamide has a molecular weight of 276.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-methyl-N-(4-methylhexan-2-yl)propanamide is sourced from PubChem (CID 80556155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).