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

C13H20N2O2 — CID 68786932

IUPAC2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NCCCO)c1ccc(N)cc1
InChIInChI=1S/C13H20N2O2/c1-13(2,12(17)15-8-3-9-16)10-4-6-11(14)7-5-10/h4-7,16H,3,8-9,14H2,1-2H3,(H,15,17)
InChIKeyJOWWRXGYVAFZMN-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.04
Rot. Bonds5

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

2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide (PubChem CID 68786932) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide
PubChem CID68786932
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NCCCO)c1ccc(N)cc1
InChIInChI=1S/C13H20N2O2/c1-13(2,12(17)15-8-3-9-16)10-4-6-11(14)7-5-10/h4-7,16H,3,8-9,14H2,1-2H3,(H,15,17)
InChIKeyJOWWRXGYVAFZMN-UHFFFAOYSA-N
XLogP1.04
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide
CID 107842398
2-(4-aminophenyl)-N-[3-(2-methoxyethoxy)propyl]-2-methylpropanamide
CID 80555633
2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide
CID 80556154
2-(4-aminophenyl)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpropanamide
CID 80555501
2-(4-aminophenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpropanamide
CID 106255526
2-(4-aminophenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
CID 110451544
3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427853
2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide
CID 114942256
N-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride
CID 119549666
N-(2-hydroxyethyl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide
CID 110487743
2-(4-aminophenyl)-N-(2-methoxy-2-methylpropyl)-2-methylpropanamide
CID 104761269
2-(4-aminophenyl)-N-(4-hydroxybutan-2-yl)-2-methylpropanamide
CID 83176249

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide (CID 68786932) is 2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide is CC(C)(C(=O)NCCCO)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide?
The InChIKey is JOWWRXGYVAFZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,12(17)15-8-3-9-16)10-4-6-11(14)7-5-10/h4-7,16H,3,8-9,14H2,1-2H3,(H,15,17).
What are the key properties of 2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide?
2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.04, 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-hydroxypropyl)-2-methylpropanamide is sourced from PubChem (CID 68786932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).