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

C24H31ClN2O — CID 71584276

IUPACN-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]cyclohexanecarboxamide
SMILESCCN(CC)c1ccc(CN(C(=O)C2CCCCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H31ClN2O/c1-3-26(4-2)22-14-10-19(11-15-22)18-27(23-16-12-21(25)13-17-23)24(28)20-8-6-5-7-9-20/h10-17,20H,3-9,18H2,1-2H3
InChIKeyMRLOMFVLKPVMAN-UHFFFAOYSA-N
MW398.98 g/mol
LogP6.30
Rot. Bonds7

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

N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]cyclohexanecarboxamide (PubChem CID 71584276) has the molecular formula C24H31ClN2O and a molecular weight of 398.98 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]cyclohexanecarboxamide
PubChem CID71584276
Molecular FormulaC24H31ClN2O
Molecular Weight398.98 g/mol
Exact Mass398.21
IUPAC NameN-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]cyclohexanecarboxamide
SMILESCCN(CC)c1ccc(CN(C(=O)C2CCCCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H31ClN2O/c1-3-26(4-2)22-14-10-19(11-15-22)18-27(23-16-12-21(25)13-17-23)24(28)20-8-6-5-7-9-20/h10-17,20H,3-9,18H2,1-2H3
InChIKeyMRLOMFVLKPVMAN-UHFFFAOYSA-N
XLogP6.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.98
LogP ≤ 56.30
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-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]cyclohexanecarboxamide (CID 71584276) is N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]cyclohexanecarboxamide is CCN(CC)c1ccc(CN(C(=O)C2CCCCC2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]cyclohexanecarboxamide?
The InChIKey is MRLOMFVLKPVMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O/c1-3-26(4-2)22-14-10-19(11-15-22)18-27(23-16-12-21(25)13-17-23)24(28)20-8-6-5-7-9-20/h10-17,20H,3-9,18H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]cyclohexanecarboxamide?
N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]cyclohexanecarboxamide has a molecular weight of 398.98 g/mol, XLogP of 6.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 71584276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).