N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)cyclohexanecarboxamide

C25H34N2O — CID 71584415

IUPACN-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)cyclohexanecarboxamide
SMILESCCN(CC)c1ccc(CN(C(=O)C2CCCCC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H34N2O/c1-4-26(5-2)23-17-13-21(14-18-23)19-27(24-15-11-20(3)12-16-24)25(28)22-9-7-6-8-10-22/h11-18,22H,4-10,19H2,1-3H3
InChIKeyVKXJDFPRMZJEGP-UHFFFAOYSA-N
MW378.56 g/mol
LogP5.95
Rot. Bonds7

About N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)cyclohexanecarboxamide

N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)cyclohexanecarboxamide (PubChem CID 71584415) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)cyclohexanecarboxamide
PubChem CID71584415
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)cyclohexanecarboxamide
SMILESCCN(CC)c1ccc(CN(C(=O)C2CCCCC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H34N2O/c1-4-26(5-2)23-17-13-21(14-18-23)19-27(24-15-11-20(3)12-16-24)25(28)22-9-7-6-8-10-22/h11-18,22H,4-10,19H2,1-3H3
InChIKeyVKXJDFPRMZJEGP-UHFFFAOYSA-N
XLogP5.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)cyclohexanecarboxamide (CID 71584415) is N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)cyclohexanecarboxamide is CCN(CC)c1ccc(CN(C(=O)C2CCCCC2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)cyclohexanecarboxamide?
The InChIKey is VKXJDFPRMZJEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O/c1-4-26(5-2)23-17-13-21(14-18-23)19-27(24-15-11-20(3)12-16-24)25(28)22-9-7-6-8-10-22/h11-18,22H,4-10,19H2,1-3H3.
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)cyclohexanecarboxamide?
N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)cyclohexanecarboxamide has a molecular weight of 378.56 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 71584415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).