2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide

C16H26N2O2 — CID 107842398

IUPAC2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NCCCCCCO)c1ccc(N)cc1
InChIInChI=1S/C16H26N2O2/c1-16(2,13-7-9-14(17)10-8-13)15(20)18-11-5-3-4-6-12-19/h7-10,19H,3-6,11-12,17H2,1-2H3,(H,18,20)
InChIKeyVNUBUBSEHXSHOQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.22
Rot. Bonds8

About 2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide

2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide (PubChem CID 107842398) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide
PubChem CID107842398
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NCCCCCCO)c1ccc(N)cc1
InChIInChI=1S/C16H26N2O2/c1-16(2,13-7-9-14(17)10-8-13)15(20)18-11-5-3-4-6-12-19/h7-10,19H,3-6,11-12,17H2,1-2H3,(H,18,20)
InChIKeyVNUBUBSEHXSHOQ-UHFFFAOYSA-N
XLogP2.22
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.22
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-(3-hydroxypropyl)-2-methylpropanamide
CID 68786932
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-(6-hydroxyhexyl)-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide (CID 107842398) is 2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide is CC(C)(C(=O)NCCCCCCO)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide?
The InChIKey is VNUBUBSEHXSHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2,13-7-9-14(17)10-8-13)15(20)18-11-5-3-4-6-12-19/h7-10,19H,3-6,11-12,17H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide?
2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.22, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide is sourced from PubChem (CID 107842398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).