2-(4-aminophenyl)-N-(2-hydroxy-3-methoxypropyl)-2-methylpropanamide

C14H22N2O3 — CID 80556294

IUPAC2-(4-aminophenyl)-N-(2-hydroxy-3-methoxypropyl)-2-methylpropanamide
SMILESCOCC(O)CNC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,10-4-6-11(15)7-5-10)13(18)16-8-12(17)9-19-3/h4-7,12,17H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyGWSLZSYWTAYJIE-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.67
Rot. Bonds6

About 2-(4-aminophenyl)-N-(2-hydroxy-3-methoxypropyl)-2-methylpropanamide

2-(4-aminophenyl)-N-(2-hydroxy-3-methoxypropyl)-2-methylpropanamide (PubChem CID 80556294) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2-hydroxy-3-methoxypropyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2-hydroxy-3-methoxypropyl)-2-methylpropanamide
PubChem CID80556294
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-(4-aminophenyl)-N-(2-hydroxy-3-methoxypropyl)-2-methylpropanamide
SMILESCOCC(O)CNC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,10-4-6-11(15)7-5-10)13(18)16-8-12(17)9-19-3/h4-7,12,17H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyGWSLZSYWTAYJIE-UHFFFAOYSA-N
XLogP0.67
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide
CID 80556787
2-(4-aminophenyl)-N-[3-(2-methoxyethoxy)propyl]-2-methylpropanamide
CID 80555633
2-(4-aminophenyl)-N-(2-methoxy-2-methylpropyl)-2-methylpropanamide
CID 104761269
2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide
CID 80556154
2-(4-aminophenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylpropanamide
CID 80555464
3-amino-N-(2-hydroxy-3-methoxypropyl)-2,2-dimethylpropanamide
CID 115426751
3-[[[2-(4-aminophenyl)-2-methylpropanoyl]amino]methyl]pentanoic acid
CID 81065786
2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methoxybutanoic acid
CID 80555164
2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide
CID 79811130
3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427853
2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide
CID 68786932
2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide
CID 114942256

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2-hydroxy-3-methoxypropyl)-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-(2-hydroxy-3-methoxypropyl)-2-methylpropanamide (CID 80556294) is 2-(4-aminophenyl)-N-(2-hydroxy-3-methoxypropyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2-hydroxy-3-methoxypropyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(2-hydroxy-3-methoxypropyl)-2-methylpropanamide is COCC(O)CNC(=O)C(C)(C)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(2-hydroxy-3-methoxypropyl)-2-methylpropanamide?
The InChIKey is GWSLZSYWTAYJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,10-4-6-11(15)7-5-10)13(18)16-8-12(17)9-19-3/h4-7,12,17H,8-9,15H2,1-3H3,(H,16,18).
What are the key properties of 2-(4-aminophenyl)-N-(2-hydroxy-3-methoxypropyl)-2-methylpropanamide?
2-(4-aminophenyl)-N-(2-hydroxy-3-methoxypropyl)-2-methylpropanamide has a molecular weight of 266.34 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(2-hydroxy-3-methoxypropyl)-2-methylpropanamide is sourced from PubChem (CID 80556294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).