N-(4-aminophenyl)-2,3,3-trimethylbutanamide

C13H20N2O — CID 89148503

IUPACN-(4-aminophenyl)-2,3,3-trimethylbutanamide
SMILESCC(C(=O)Nc1ccc(N)cc1)C(C)(C)C
InChIInChI=1S/C13H20N2O/c1-9(13(2,3)4)12(16)15-11-7-5-10(14)6-8-11/h5-9H,14H2,1-4H3,(H,15,16)
InChIKeyQSMZDXOXBKOWKP-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.89
Rot. Bonds2

About N-(4-aminophenyl)-2,3,3-trimethylbutanamide

N-(4-aminophenyl)-2,3,3-trimethylbutanamide (PubChem CID 89148503) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(4-aminophenyl)-2,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2,3,3-trimethylbutanamide
PubChem CID89148503
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(4-aminophenyl)-2,3,3-trimethylbutanamide
SMILESCC(C(=O)Nc1ccc(N)cc1)C(C)(C)C
InChIInChI=1S/C13H20N2O/c1-9(13(2,3)4)12(16)15-11-7-5-10(14)6-8-11/h5-9H,14H2,1-4H3,(H,15,16)
InChIKeyQSMZDXOXBKOWKP-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-methyl-2-[4-(2,3,3-trimethylbutanoylamino)phenyl]propanoic acid
CID 120688065
(2R)-N-(4-aminophenyl)-2-fluoropropanamide
CID 131168097
N-(4-aminophenyl)-2-bromopropanamide
CID 57300084
N-(4-carbamimidoylphenyl)-2,3,3-trimethylbutanamide
CID 143855441
N-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide
CID 119419413
N-(4-aminophenyl)-2-propan-2-ylsulfonylpropanamide
CID 60886177
N-[4-(4-aminophenyl)phenyl]-2-chloropropanamide
CID 18877630
N-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide
CID 82224626
N-(3-hydroxyphenyl)-2,3,3-trimethylbutanamide
CID 70969144
N-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]butanamide
CID 82224572
N-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61242810
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2,3,3-trimethylbutanamide?
The IUPAC name of N-(4-aminophenyl)-2,3,3-trimethylbutanamide (CID 89148503) is N-(4-aminophenyl)-2,3,3-trimethylbutanamide.
What is the SMILES notation for N-(4-aminophenyl)-2,3,3-trimethylbutanamide?
The canonical SMILES for N-(4-aminophenyl)-2,3,3-trimethylbutanamide is CC(C(=O)Nc1ccc(N)cc1)C(C)(C)C.
What is the InChIKey of N-(4-aminophenyl)-2,3,3-trimethylbutanamide?
The InChIKey is QSMZDXOXBKOWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(13(2,3)4)12(16)15-11-7-5-10(14)6-8-11/h5-9H,14H2,1-4H3,(H,15,16).
What are the key properties of N-(4-aminophenyl)-2,3,3-trimethylbutanamide?
N-(4-aminophenyl)-2,3,3-trimethylbutanamide has a molecular weight of 220.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2,3,3-trimethylbutanamide is sourced from PubChem (CID 89148503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).