2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide

C16H26N2O — CID 104828198

IUPAC2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)c1ccc(N)cc1)C(C)(C)C
InChIInChI=1S/C16H26N2O/c1-11(15(2,3)4)18-14(19)16(5,6)12-7-9-13(17)10-8-12/h7-11H,17H2,1-6H3,(H,18,19)
InChIKeyJXJVLQOASHQTQA-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.10
Rot. Bonds3

About 2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide

2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide (PubChem CID 104828198) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide
PubChem CID104828198
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)c1ccc(N)cc1)C(C)(C)C
InChIInChI=1S/C16H26N2O/c1-11(15(2,3)4)18-14(19)16(5,6)12-7-9-13(17)10-8-12/h7-11H,17H2,1-6H3,(H,18,19)
InChIKeyJXJVLQOASHQTQA-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.10
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

(2S)-2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-3,3-dimethylbutanoic acid
CID 80555297
2-(4-aminophenyl)-N-(4-hydroxybutan-2-yl)-2-methylpropanamide
CID 83176249
2-(4-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-methylpropanamide
CID 80556063
(2S)-2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methylpentanoic acid
CID 80555300
2-(4-aminophenyl)-2-methyl-N-(4-methylhexan-2-yl)propanamide
CID 80556155
(2R)-2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-3-hydroxypropanoic acid
CID 80751613
2-(4-aminophenyl)-N-hexan-3-yl-2-methylpropanamide
CID 80556865
2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 81392052
2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81394028
2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide
CID 80556154
2-(4-aminophenyl)-N-cyano-2-methylpropanamide
CID 80556066
2-(4-aminophenyl)-N-hex-1-yn-3-yl-2-methylpropanamide
CID 106230555

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide (CID 104828198) is 2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide is CC(NC(=O)C(C)(C)c1ccc(N)cc1)C(C)(C)C.
What is the InChIKey of 2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide?
The InChIKey is JXJVLQOASHQTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(15(2,3)4)18-14(19)16(5,6)12-7-9-13(17)10-8-12/h7-11H,17H2,1-6H3,(H,18,19).
What are the key properties of 2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide?
2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide has a molecular weight of 262.40 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide is sourced from PubChem (CID 104828198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).