4-(2-aminoethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylhexanamide

C17H28N2O2 — CID 106954386

IUPAC4-(2-aminoethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylhexanamide
SMILESCc1cc(NC(=O)CCC(CCN)C(C)C)c(C)cc1O
InChIInChI=1S/C17H28N2O2/c1-11(2)14(7-8-18)5-6-17(21)19-15-9-13(4)16(20)10-12(15)3/h9-11,14,20H,5-8,18H2,1-4H3,(H,19,21)
InChIKeyAVTGUVXWRAIMFI-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.35
Rot. Bonds7

About 4-(2-aminoethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylhexanamide

4-(2-aminoethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylhexanamide (PubChem CID 106954386) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylhexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylhexanamide
PubChem CID106954386
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-(2-aminoethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylhexanamide
SMILESCc1cc(NC(=O)CCC(CCN)C(C)C)c(C)cc1O
InChIInChI=1S/C17H28N2O2/c1-11(2)14(7-8-18)5-6-17(21)19-15-9-13(4)16(20)10-12(15)3/h9-11,14,20H,5-8,18H2,1-4H3,(H,19,21)
InChIKeyAVTGUVXWRAIMFI-UHFFFAOYSA-N
XLogP3.35
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-hydroxy-2,5-dimethylphenyl)butanamide
CID 106954356
4-(2-aminoethyl)-N-(2,5-dichloro-4-methylphenyl)-5-methylhexanamide
CID 104727149
4-(2-aminoethyl)-N-(2-cyano-3-methylphenyl)-5-methylhexanamide
CID 107805055
4-(2-aminoethyl)-5-methyl-N-(2-methyl-3-pyridinyl)hexanamide
CID 79043202
4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide
CID 79734817
2-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylpentanamide
CID 106954435
1-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 106954286
4-(2-aminoethyl)-1-(3,5-dimethylphenyl)-5-methylhexan-1-one
CID 116577810
5-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 82683861
5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide
CID 82689437
2-(2,6-difluorophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)acetamide
CID 106834565
6-amino-N-(5-iodo-2-methylphenyl)-4-methylhexanamide
CID 114257291

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylhexanamide?
The IUPAC name of 4-(2-aminoethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylhexanamide (CID 106954386) is 4-(2-aminoethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylhexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylhexanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylhexanamide is Cc1cc(NC(=O)CCC(CCN)C(C)C)c(C)cc1O.
What is the InChIKey of 4-(2-aminoethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylhexanamide?
The InChIKey is AVTGUVXWRAIMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-11(2)14(7-8-18)5-6-17(21)19-15-9-13(4)16(20)10-12(15)3/h9-11,14,20H,5-8,18H2,1-4H3,(H,19,21).
What are the key properties of 4-(2-aminoethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylhexanamide?
4-(2-aminoethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylhexanamide has a molecular weight of 292.42 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylhexanamide is sourced from PubChem (CID 106954386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).