N-methyl-2-[(spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzamide

C22H26N4O — CID 137248268

IUPACN-methyl-2-[(spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzamide
SMILESCNC(=O)c1ccccc1C/N=C1\Nc2ccccc2NC12CCCCC2
InChIInChI=1S/C22H26N4O/c1-23-20(27)17-10-4-3-9-16(17)15-24-21-22(13-7-2-8-14-22)26-19-12-6-5-11-18(19)25-21/h3-6,9-12,26H,2,7-8,13-15H2,1H3,(H,23,27)(H,24,25)
InChIKeyVMDDYEZHHWLLNZ-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.19
Rot. Bonds3

About N-methyl-2-[(spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzamide

N-methyl-2-[(spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzamide (PubChem CID 137248268) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-methyl-2-[(spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-[(spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzamide
PubChem CID137248268
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-methyl-2-[(spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzamide
SMILESCNC(=O)c1ccccc1C/N=C1\Nc2ccccc2NC12CCCCC2
InChIInChI=1S/C22H26N4O/c1-23-20(27)17-10-4-3-9-16(17)15-24-21-22(13-7-2-8-14-22)26-19-12-6-5-11-18(19)25-21/h3-6,9-12,26H,2,7-8,13-15H2,1H3,(H,23,27)(H,24,25)
InChIKeyVMDDYEZHHWLLNZ-UHFFFAOYSA-N
XLogP4.19
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzoate
CID 137248270
N-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
CID 137104770
N-methyl-2-[(spiro[1,4-dihydroquinoline-3,4'-oxane]-2-ylideneamino)methyl]benzamide
CID 153182010
N-(pyridazin-4-ylmethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
CID 137105530
N-[(3-chloro-4-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
CID 137036725
N-[(3-bromo-4-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
CID 137105370
N-methyl-4-[(spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-ylideneamino)methyl]aniline
CID 137104942
2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-5-carboxamide
CID 149117692
N-[(2,3-dimethylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
CID 137105092
N-benzylspiro[1,4-dihydropyrido[3,4-b]pyrazine-2,1'-cyclohexane]-3-imine;ethane
CID 145079170
1-[7-acetyl-3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-6-yl]ethanone
CID 147248980
N-[(2-pyrrolidin-1-ylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137104740

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzamide?
The IUPAC name of N-methyl-2-[(spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzamide (CID 137248268) is N-methyl-2-[(spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzamide.
What is the SMILES notation for N-methyl-2-[(spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzamide?
The canonical SMILES for N-methyl-2-[(spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzamide is CNC(=O)c1ccccc1C/N=C1\Nc2ccccc2NC12CCCCC2.
What is the InChIKey of N-methyl-2-[(spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzamide?
The InChIKey is VMDDYEZHHWLLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-23-20(27)17-10-4-3-9-16(17)15-24-21-22(13-7-2-8-14-22)26-19-12-6-5-11-18(19)25-21/h3-6,9-12,26H,2,7-8,13-15H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-methyl-2-[(spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzamide?
N-methyl-2-[(spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzamide has a molecular weight of 362.48 g/mol, XLogP of 4.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzamide is sourced from PubChem (CID 137248268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).