4-amino-N-(4-hydroxy-2-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide

C17H26N2O2 — CID 102628908

IUPAC4-amino-N-(4-hydroxy-2-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCc1cc(O)ccc1NC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C17H26N2O2/c1-10-9-12(20)5-8-15(10)19-16(21)13-6-7-14(18)11(2)17(13,3)4/h5,8-9,11,13-14,20H,6-7,18H2,1-4H3,(H,19,21)
InChIKeyLJSDJFYJWLXBDA-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.04
Rot. Bonds2

About 4-amino-N-(4-hydroxy-2-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide

4-amino-N-(4-hydroxy-2-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide (PubChem CID 102628908) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-amino-N-(4-hydroxy-2-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-hydroxy-2-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
PubChem CID102628908
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-amino-N-(4-hydroxy-2-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCc1cc(O)ccc1NC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C17H26N2O2/c1-10-9-12(20)5-8-15(10)19-16(21)13-6-7-14(18)11(2)17(13,3)4/h5,8-9,11,13-14,20H,6-7,18H2,1-4H3,(H,19,21)
InChIKeyLJSDJFYJWLXBDA-UHFFFAOYSA-N
XLogP3.04
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-hydroxy-2-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(4-hydroxy-2-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide (CID 102628908) is 4-amino-N-(4-hydroxy-2-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(4-hydroxy-2-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(4-hydroxy-2-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide is Cc1cc(O)ccc1NC(=O)C1CCC(N)C(C)C1(C)C.
What is the InChIKey of 4-amino-N-(4-hydroxy-2-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is LJSDJFYJWLXBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-10-9-12(20)5-8-15(10)19-16(21)13-6-7-14(18)11(2)17(13,3)4/h5,8-9,11,13-14,20H,6-7,18H2,1-4H3,(H,19,21).
What are the key properties of 4-amino-N-(4-hydroxy-2-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
4-amino-N-(4-hydroxy-2-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-hydroxy-2-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102628908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).