2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,5-dimethylphenyl)acetamide

C17H26N2O2 — CID 106954350

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,5-dimethylphenyl)acetamide
SMILESCc1cc(NC(=O)CC2(CN)CCCCC2)c(C)cc1O
InChIInChI=1S/C17H26N2O2/c1-12-9-15(20)13(2)8-14(12)19-16(21)10-17(11-18)6-4-3-5-7-17/h8-9,20H,3-7,10-11,18H2,1-2H3,(H,19,21)
InChIKeyVVXHQOBMTTYJKD-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.25
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,5-dimethylphenyl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,5-dimethylphenyl)acetamide (PubChem CID 106954350) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,5-dimethylphenyl)acetamide
PubChem CID106954350
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,5-dimethylphenyl)acetamide
SMILESCc1cc(NC(=O)CC2(CN)CCCCC2)c(C)cc1O
InChIInChI=1S/C17H26N2O2/c1-12-9-15(20)13(2)8-14(12)19-16(21)10-17(11-18)6-4-3-5-7-17/h8-9,20H,3-7,10-11,18H2,1-2H3,(H,19,21)
InChIKeyVVXHQOBMTTYJKD-UHFFFAOYSA-N
XLogP3.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.25
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

2-[1-(aminomethyl)cyclohexyl]-N-(2,5-dichloro-4-methylphenyl)acetamide
CID 104727167
2-[1-(aminomethyl)cyclobutyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 81178920
2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-3-pyridinyl)acetamide
CID 104678205
1-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 106954286
2-[1-(aminomethyl)cyclohexyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 104677454
2-[1-(aminomethyl)cyclobutyl]-N-(4-ethoxy-2-methylphenyl)acetamide
CID 81172405
2-[1-(aminomethyl)cyclohexyl]-N-(2-chlorophenyl)acetamide
CID 104677439
2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-2-pyridinyl)acetamide
CID 104677502
4-amino-N-(4-hydroxy-2,5-dimethylphenyl)butanamide
CID 106954356
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
2-(1-hydroxycyclopentyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
CID 75386664
2-[1-(aminomethyl)cyclobutyl]-N-(2-ethoxy-4-methylphenyl)acetamide
CID 81173162

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,5-dimethylphenyl)acetamide (CID 106954350) is 2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,5-dimethylphenyl)acetamide is Cc1cc(NC(=O)CC2(CN)CCCCC2)c(C)cc1O.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,5-dimethylphenyl)acetamide?
The InChIKey is VVXHQOBMTTYJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-9-15(20)13(2)8-14(12)19-16(21)10-17(11-18)6-4-3-5-7-17/h8-9,20H,3-7,10-11,18H2,1-2H3,(H,19,21).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,5-dimethylphenyl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,5-dimethylphenyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 106954350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).