N-[3-[(tert-butylamino)methyl]-5-cyclohexyl-4-hydroxyphenyl]acetamide

C19H30N2O2 — CID 10519621

IUPACN-[3-[(tert-butylamino)methyl]-5-cyclohexyl-4-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1cc(CNC(C)(C)C)c(O)c(C2CCCCC2)c1
InChIInChI=1S/C19H30N2O2/c1-13(22)21-16-10-15(12-20-19(2,3)4)18(23)17(11-16)14-8-6-5-7-9-14/h10-11,14,20,23H,5-9,12H2,1-4H3,(H,21,22)
InChIKeyIXWKMATZMCOXEG-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.29
Rot. Bonds4

About N-[3-[(tert-butylamino)methyl]-5-cyclohexyl-4-hydroxyphenyl]acetamide

N-[3-[(tert-butylamino)methyl]-5-cyclohexyl-4-hydroxyphenyl]acetamide (PubChem CID 10519621) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[3-[(tert-butylamino)methyl]-5-cyclohexyl-4-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(tert-butylamino)methyl]-5-cyclohexyl-4-hydroxyphenyl]acetamide
PubChem CID10519621
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[3-[(tert-butylamino)methyl]-5-cyclohexyl-4-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1cc(CNC(C)(C)C)c(O)c(C2CCCCC2)c1
InChIInChI=1S/C19H30N2O2/c1-13(22)21-16-10-15(12-20-19(2,3)4)18(23)17(11-16)14-8-6-5-7-9-14/h10-11,14,20,23H,5-9,12H2,1-4H3,(H,21,22)
InChIKeyIXWKMATZMCOXEG-UHFFFAOYSA-N
XLogP4.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-[3-[(tert-butylamino)methyl]-5-cyclohexyl-4-hydroxyphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(tert-butylamino)methyl]-5-cyclohexyl-4-hydroxyphenyl]acetamide?
The IUPAC name of N-[3-[(tert-butylamino)methyl]-5-cyclohexyl-4-hydroxyphenyl]acetamide (CID 10519621) is N-[3-[(tert-butylamino)methyl]-5-cyclohexyl-4-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[3-[(tert-butylamino)methyl]-5-cyclohexyl-4-hydroxyphenyl]acetamide?
The canonical SMILES for N-[3-[(tert-butylamino)methyl]-5-cyclohexyl-4-hydroxyphenyl]acetamide is CC(=O)Nc1cc(CNC(C)(C)C)c(O)c(C2CCCCC2)c1.
What is the InChIKey of N-[3-[(tert-butylamino)methyl]-5-cyclohexyl-4-hydroxyphenyl]acetamide?
The InChIKey is IXWKMATZMCOXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-13(22)21-16-10-15(12-20-19(2,3)4)18(23)17(11-16)14-8-6-5-7-9-14/h10-11,14,20,23H,5-9,12H2,1-4H3,(H,21,22).
What are the key properties of N-[3-[(tert-butylamino)methyl]-5-cyclohexyl-4-hydroxyphenyl]acetamide?
N-[3-[(tert-butylamino)methyl]-5-cyclohexyl-4-hydroxyphenyl]acetamide has a molecular weight of 318.46 g/mol, XLogP of 4.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(tert-butylamino)methyl]-5-cyclohexyl-4-hydroxyphenyl]acetamide is sourced from PubChem (CID 10519621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).