2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide

C14H22N2O2 — CID 80556154

IUPAC2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide
SMILESCC(O)CCNC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C14H22N2O2/c1-10(17)8-9-16-13(18)14(2,3)11-4-6-12(15)7-5-11/h4-7,10,17H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyQPLNCQIGLKLAGH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.43
Rot. Bonds5

About 2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide

2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide (PubChem CID 80556154) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide
PubChem CID80556154
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide
SMILESCC(O)CCNC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C14H22N2O2/c1-10(17)8-9-16-13(18)14(2,3)11-4-6-12(15)7-5-11/h4-7,10,17H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyQPLNCQIGLKLAGH-UHFFFAOYSA-N
XLogP1.43
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxybutyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]propanamide
CID 111433792
2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide
CID 68786932
2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide
CID 107842398
2-(4-aminophenyl)-N-(4-hydroxybutan-2-yl)-2-methylpropanamide
CID 83176249
2-(4-aminophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide
CID 80555177
2-(4-aminophenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpropanamide
CID 106255526
2-(4-aminophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide
CID 80556787
2-(4-aminophenyl)-N-(2-hydroxy-3-methoxypropyl)-2-methylpropanamide
CID 80556294
2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide
CID 104828198
3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427853
2-(4-aminophenyl)-N-[3-(2-methoxyethoxy)propyl]-2-methylpropanamide
CID 80555633
N-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride
CID 119549666

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide (CID 80556154) is 2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide is CC(O)CCNC(=O)C(C)(C)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide?
The InChIKey is QPLNCQIGLKLAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(17)8-9-16-13(18)14(2,3)11-4-6-12(15)7-5-11/h4-7,10,17H,8-9,15H2,1-3H3,(H,16,18).
What are the key properties of 2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide?
2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide is sourced from PubChem (CID 80556154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).