N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide

C23H28N2O — CID 42943354

IUPACN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCN(C)Cc1ccc(-c2ccccc2CNC(=O)C2CC=CCC2)cc1
InChIInChI=1S/C23H28N2O/c1-25(2)17-18-12-14-19(15-13-18)22-11-7-6-10-21(22)16-24-23(26)20-8-4-3-5-9-20/h3-4,6-7,10-15,20H,5,8-9,16-17H2,1-2H3,(H,24,26)
InChIKeyWWVPITBZNGBYGQ-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.39
Rot. Bonds6

About N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide

N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 42943354) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID42943354
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCN(C)Cc1ccc(-c2ccccc2CNC(=O)C2CC=CCC2)cc1
InChIInChI=1S/C23H28N2O/c1-25(2)17-18-12-14-19(15-13-18)22-11-7-6-10-21(22)16-24-23(26)20-8-4-3-5-9-20/h3-4,6-7,10-15,20H,5,8-9,16-17H2,1-2H3,(H,24,26)
InChIKeyWWVPITBZNGBYGQ-UHFFFAOYSA-N
XLogP4.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 42944706
2-cyclopent-2-en-1-yl-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]acetamide
CID 75691770
N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 42916560
(1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 9401002
(1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 32601690
(3R)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 38262955
(1S)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 31644447
(2S,7R)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,7-dimethyl-1,4-oxazepane-4-carboxamide
CID 136583671
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]pyridine-2-carboxamide
CID 47021287
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-methoxybenzamide
CID 24661049
(1S)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 99845328
4-[(cyclohex-3-ene-1-carbonylamino)methyl]-N,N-diethylbenzamide
CID 86981254

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide (CID 42943354) is N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide is CN(C)Cc1ccc(-c2ccccc2CNC(=O)C2CC=CCC2)cc1.
What is the InChIKey of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is WWVPITBZNGBYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-25(2)17-18-12-14-19(15-13-18)22-11-7-6-10-21(22)16-24-23(26)20-8-4-3-5-9-20/h3-4,6-7,10-15,20H,5,8-9,16-17H2,1-2H3,(H,24,26).
What are the key properties of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide?
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 42943354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).