N-[5-(2-cyclohexylethoxymethylamino)-2-methylphenyl]benzamide

C23H30N2O2 — CID 18343685

IUPACN-[5-(2-cyclohexylethoxymethylamino)-2-methylphenyl]benzamide
SMILESCc1ccc(NCOCCC2CCCCC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C23H30N2O2/c1-18-12-13-21(24-17-27-15-14-19-8-4-2-5-9-19)16-22(18)25-23(26)20-10-6-3-7-11-20/h3,6-7,10-13,16,19,24H,2,4-5,8-9,14-15,17H2,1H3,(H,25,26)
InChIKeyQIDLFWFOCVFXLM-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.60
Rot. Bonds8

About N-[5-(2-cyclohexylethoxymethylamino)-2-methylphenyl]benzamide

N-[5-(2-cyclohexylethoxymethylamino)-2-methylphenyl]benzamide (PubChem CID 18343685) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[5-(2-cyclohexylethoxymethylamino)-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[5-(2-cyclohexylethoxymethylamino)-2-methylphenyl]benzamide
PubChem CID18343685
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[5-(2-cyclohexylethoxymethylamino)-2-methylphenyl]benzamide
SMILESCc1ccc(NCOCCC2CCCCC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C23H30N2O2/c1-18-12-13-21(24-17-27-15-14-19-8-4-2-5-9-19)16-22(18)25-23(26)20-10-6-3-7-11-20/h3,6-7,10-13,16,19,24H,2,4-5,8-9,14-15,17H2,1H3,(H,25,26)
InChIKeyQIDLFWFOCVFXLM-UHFFFAOYSA-N
XLogP5.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide
CID 10500851
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]quinoxaline-6-carboxamide
CID 22057992
[4-[[5-(cyclohexylmethylcarbamoylamino)-2-methylphenyl]carbamoyl]phenyl] acetate
CID 10526294
N-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide
CID 39192508
3-benzamido-N-cyclopentyl-N-ethyl-4-methylbenzamide
CID 55632308
3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52829145
N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide
CID 22291056
N-(5-acetamido-2-methylphenyl)-4-cyclohexylbutanamide
CID 46454647
N-[4-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]benzamide
CID 119725877
N-[2-(5-benzamido-2-methylanilino)-2-oxoethyl]benzamide
CID 60518009
N-(5-amino-2-methylphenyl)-2-(2-cyclobutylethoxy)acetamide
CID 106200107

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-cyclohexylethoxymethylamino)-2-methylphenyl]benzamide?
The IUPAC name of N-[5-(2-cyclohexylethoxymethylamino)-2-methylphenyl]benzamide (CID 18343685) is N-[5-(2-cyclohexylethoxymethylamino)-2-methylphenyl]benzamide.
What is the SMILES notation for N-[5-(2-cyclohexylethoxymethylamino)-2-methylphenyl]benzamide?
The canonical SMILES for N-[5-(2-cyclohexylethoxymethylamino)-2-methylphenyl]benzamide is Cc1ccc(NCOCCC2CCCCC2)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[5-(2-cyclohexylethoxymethylamino)-2-methylphenyl]benzamide?
The InChIKey is QIDLFWFOCVFXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-18-12-13-21(24-17-27-15-14-19-8-4-2-5-9-19)16-22(18)25-23(26)20-10-6-3-7-11-20/h3,6-7,10-13,16,19,24H,2,4-5,8-9,14-15,17H2,1H3,(H,25,26).
What are the key properties of N-[5-(2-cyclohexylethoxymethylamino)-2-methylphenyl]benzamide?
N-[5-(2-cyclohexylethoxymethylamino)-2-methylphenyl]benzamide has a molecular weight of 366.51 g/mol, XLogP of 5.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-cyclohexylethoxymethylamino)-2-methylphenyl]benzamide is sourced from PubChem (CID 18343685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).