N-[4-(dimethylamino)phenyl]-4-oxocyclohexane-1-carboxamide

C15H20N2O2 — CID 112520495

IUPACN-[4-(dimethylamino)phenyl]-4-oxocyclohexane-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2CCC(=O)CC2)cc1
InChIInChI=1S/C15H20N2O2/c1-17(2)13-7-5-12(6-8-13)16-15(19)11-3-9-14(18)10-4-11/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,19)
InChIKeyQOKAYMNRDHEISF-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.45
Rot. Bonds3

About N-[4-(dimethylamino)phenyl]-4-oxocyclohexane-1-carboxamide

N-[4-(dimethylamino)phenyl]-4-oxocyclohexane-1-carboxamide (PubChem CID 112520495) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-4-oxocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-4-oxocyclohexane-1-carboxamide
PubChem CID112520495
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[4-(dimethylamino)phenyl]-4-oxocyclohexane-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2CCC(=O)CC2)cc1
InChIInChI=1S/C15H20N2O2/c1-17(2)13-7-5-12(6-8-13)16-15(19)11-3-9-14(18)10-4-11/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,19)
InChIKeyQOKAYMNRDHEISF-UHFFFAOYSA-N
XLogP2.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylsulfanylphenyl)-4-oxocyclohexane-1-carboxamide
CID 115150357
4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 109150257
N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982179
1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143918
4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 19206977
N-[4-(dimethylamino)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 113008056
(3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 28807397
4-N-[4-(dimethylamino)phenyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147341
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113049573
4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148333
cis-(1S,2R)-2-[[4-(dimethylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 41097683
1-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113191199

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-4-oxocyclohexane-1-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-4-oxocyclohexane-1-carboxamide (CID 112520495) is N-[4-(dimethylamino)phenyl]-4-oxocyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-4-oxocyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-4-oxocyclohexane-1-carboxamide is CN(C)c1ccc(NC(=O)C2CCC(=O)CC2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-4-oxocyclohexane-1-carboxamide?
The InChIKey is QOKAYMNRDHEISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17(2)13-7-5-12(6-8-13)16-15(19)11-3-9-14(18)10-4-11/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,19).
What are the key properties of N-[4-(dimethylamino)phenyl]-4-oxocyclohexane-1-carboxamide?
N-[4-(dimethylamino)phenyl]-4-oxocyclohexane-1-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-4-oxocyclohexane-1-carboxamide is sourced from PubChem (CID 112520495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).