N-cyclohexyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide

C19H28N4O2 — CID 51064202

IUPACN-cyclohexyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide
SMILESCN(C)c1ccc(/C=N/NC(=O)CCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H28N4O2/c1-23(2)17-10-8-15(9-11-17)14-20-22-19(25)13-12-18(24)21-16-6-4-3-5-7-16/h8-11,14,16H,3-7,12-13H2,1-2H3,(H,21,24)(H,22,25)/b20-14+
InChIKeyLWAWAGOLKDZKNX-XSFVSMFZSA-N
MW344.46 g/mol
LogP2.43
Rot. Bonds7

About N-cyclohexyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide

N-cyclohexyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide (PubChem CID 51064202) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-cyclohexyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide
PubChem CID51064202
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-cyclohexyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide
SMILESCN(C)c1ccc(/C=N/NC(=O)CCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H28N4O2/c1-23(2)17-10-8-15(9-11-17)14-20-22-19(25)13-12-18(24)21-16-6-4-3-5-7-16/h8-11,14,16H,3-7,12-13H2,1-2H3,(H,21,24)(H,22,25)/b20-14+
InChIKeyLWAWAGOLKDZKNX-XSFVSMFZSA-N
XLogP2.43
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexylamino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 41092525
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
CID 92856210
N-(4-acetamidophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 171981399
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 22613567
N-cyclohexyl-N'-[[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide
CID 3829252
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-(thiaselenolan-3-yl)pentanamide
CID 71770245
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide
CID 5407219
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-hydroxyphenyl)butanamide
CID 4245734
(Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 19167042
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide
CID 171984113
N-(2,4-dichlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 5229962

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide?
The IUPAC name of N-cyclohexyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide (CID 51064202) is N-cyclohexyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide.
What is the SMILES notation for N-cyclohexyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide?
The canonical SMILES for N-cyclohexyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide is CN(C)c1ccc(/C=N/NC(=O)CCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide?
The InChIKey is LWAWAGOLKDZKNX-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-23(2)17-10-8-15(9-11-17)14-20-22-19(25)13-12-18(24)21-16-6-4-3-5-7-16/h8-11,14,16H,3-7,12-13H2,1-2H3,(H,21,24)(H,22,25)/b20-14+.
What are the key properties of N-cyclohexyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide?
N-cyclohexyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide has a molecular weight of 344.46 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide is sourced from PubChem (CID 51064202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).