N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide

C18H28N2O — CID 837088

IUPACN-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCCCC2)c(C)c1
InChIInChI=1S/C18H28N2O/c1-4-20(5-2)16-11-12-17(14(3)13-16)19-18(21)15-9-7-6-8-10-15/h11-13,15H,4-10H2,1-3H3,(H,19,21)
InChIKeyQTOQBOYGLJVVCV-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.36
Rot. Bonds5

About N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide

N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide (PubChem CID 837088) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide
PubChem CID837088
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCCCC2)c(C)c1
InChIInChI=1S/C18H28N2O/c1-4-20(5-2)16-11-12-17(14(3)13-16)19-18(21)15-9-7-6-8-10-15/h11-13,15H,4-10H2,1-3H3,(H,19,21)
InChIKeyQTOQBOYGLJVVCV-UHFFFAOYSA-N
XLogP4.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[[4-(diethylamino)-2-methylphenyl]carbamoyl]piperidine-1-carboxylate
CID 84554748
N-[6-[4-(diethylamino)-2-methylanilino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113051011
N-[1-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112521428
3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113116691
2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 108992892
N-(4-amino-2-methylphenyl)cycloheptanecarboxamide
CID 55091677
N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide
CID 798737
N-[4-(diethylamino)-2-methylphenyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640111
N-[4-(diethylamino)-2-methylphenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182073
N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide
CID 17069288
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
N-[4-(diethylamino)-2-methylphenyl]-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514320

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide (CID 837088) is N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide is CCN(CC)c1ccc(NC(=O)C2CCCCC2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide?
The InChIKey is QTOQBOYGLJVVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-20(5-2)16-11-12-17(14(3)13-16)19-18(21)15-9-7-6-8-10-15/h11-13,15H,4-10H2,1-3H3,(H,19,21).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide?
N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide has a molecular weight of 288.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide is sourced from PubChem (CID 837088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).