N-[[3-[[(1R)-1-cyclohexylethyl]iminomethyl]-4-oxo-1-phenylcyclohexyl]methyl]-2-methoxybenzamide

C30H38N2O3 — CID 123649494

IUPACN-[[3-[[(1R)-1-cyclohexylethyl]iminomethyl]-4-oxo-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC(=O)C(/C=N/[C@H](C)C2CCCCC2)C1
InChIInChI=1S/C30H38N2O3/c1-22(23-11-5-3-6-12-23)31-20-24-19-30(18-17-27(24)33,25-13-7-4-8-14-25)21-32-29(34)26-15-9-10-16-28(26)35-2/h4,7-10,13-16,20,22-24H,3,5-6,11-12,17-19,21H2,1-2H3,(H,32,34)/b31-20+/t22-,24?,30?/m1/s1
InChIKeyCISVQGDCMCQSSR-QJOQUTGASA-N
MW474.65 g/mol
LogP5.77
Rot. Bonds8

About N-[[3-[[(1R)-1-cyclohexylethyl]iminomethyl]-4-oxo-1-phenylcyclohexyl]methyl]-2-methoxybenzamide

N-[[3-[[(1R)-1-cyclohexylethyl]iminomethyl]-4-oxo-1-phenylcyclohexyl]methyl]-2-methoxybenzamide (PubChem CID 123649494) has the molecular formula C30H38N2O3 and a molecular weight of 474.65 g/mol. Its IUPAC name is N-[[3-[[(1R)-1-cyclohexylethyl]iminomethyl]-4-oxo-1-phenylcyclohexyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[3-[[(1R)-1-cyclohexylethyl]iminomethyl]-4-oxo-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
PubChem CID123649494
Molecular FormulaC30H38N2O3
Molecular Weight474.65 g/mol
Exact Mass474.29
IUPAC NameN-[[3-[[(1R)-1-cyclohexylethyl]iminomethyl]-4-oxo-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC(=O)C(/C=N/[C@H](C)C2CCCCC2)C1
InChIInChI=1S/C30H38N2O3/c1-22(23-11-5-3-6-12-23)31-20-24-19-30(18-17-27(24)33,25-13-7-4-8-14-25)21-32-29(34)26-15-9-10-16-28(26)35-2/h4,7-10,13-16,20,22-24H,3,5-6,11-12,17-19,21H2,1-2H3,(H,32,34)/b31-20+/t22-,24?,30?/m1/s1
InChIKeyCISVQGDCMCQSSR-QJOQUTGASA-N
XLogP5.77
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[3-[[(1R)-1-cyclohexylethyl]iminomethyl]-4-oxo-1-phenylcyclohexyl]methyl]-2-methoxybenzamide with MolForge

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Related Compounds

2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 18009445
[(1R,3S)-3-[[(2-methoxybenzoyl)amino]methyl]-3-phenylcyclohexyl] acetate
CID 54173169
N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
CID 142271522
2-methoxy-N-[[4-(2-methoxyethylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 58842305
N-[[1-[(1-cyclohexyl-3-hydroxypropan-2-yl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 22240612
propan-2-yl N-[2-[[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]oxycarbonylamino]ethyl]carbamate
CID 20596182
bis(N-[(4-hydroxy-1-thiophen-2-ylcyclohexyl)methyl]-2-methoxybenzamide);2-methoxy-N-[(4-oxo-1-thiophen-2-ylcyclohexyl)methyl]benzamide
CID 158858719
[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(1-hydroxycyclohexyl)-N-methylcarbamate
CID 54069418
N-[[(3aS,5R)-3-methoxy-5-phenyl-4,6,7,7a-tetrahydro-3aH-1,2-benzoxazol-5-yl]methyl]-2-methoxybenzamide
CID 11668360
2-methoxy-N-[2-(1-phenylcyclohexyl)ethyl]benzamide
CID 18449642
2-methoxy-N-[[4-(2-oxoimidazolidin-1-yl)-1-phenylcyclohexyl]methyl]benzamide
CID 58842622
methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate
CID 20694798

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(1R)-1-cyclohexylethyl]iminomethyl]-4-oxo-1-phenylcyclohexyl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[3-[[(1R)-1-cyclohexylethyl]iminomethyl]-4-oxo-1-phenylcyclohexyl]methyl]-2-methoxybenzamide (CID 123649494) is N-[[3-[[(1R)-1-cyclohexylethyl]iminomethyl]-4-oxo-1-phenylcyclohexyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[3-[[(1R)-1-cyclohexylethyl]iminomethyl]-4-oxo-1-phenylcyclohexyl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[3-[[(1R)-1-cyclohexylethyl]iminomethyl]-4-oxo-1-phenylcyclohexyl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCC1(c2ccccc2)CCC(=O)C(/C=N/[C@H](C)C2CCCCC2)C1.
What is the InChIKey of N-[[3-[[(1R)-1-cyclohexylethyl]iminomethyl]-4-oxo-1-phenylcyclohexyl]methyl]-2-methoxybenzamide?
The InChIKey is CISVQGDCMCQSSR-QJOQUTGASA-N. The full InChI is InChI=1S/C30H38N2O3/c1-22(23-11-5-3-6-12-23)31-20-24-19-30(18-17-27(24)33,25-13-7-4-8-14-25)21-32-29(34)26-15-9-10-16-28(26)35-2/h4,7-10,13-16,20,22-24H,3,5-6,11-12,17-19,21H2,1-2H3,(H,32,34)/b31-20+/t22-,24?,30?/m1/s1.
What are the key properties of N-[[3-[[(1R)-1-cyclohexylethyl]iminomethyl]-4-oxo-1-phenylcyclohexyl]methyl]-2-methoxybenzamide?
N-[[3-[[(1R)-1-cyclohexylethyl]iminomethyl]-4-oxo-1-phenylcyclohexyl]methyl]-2-methoxybenzamide has a molecular weight of 474.65 g/mol, XLogP of 5.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[(1R)-1-cyclohexylethyl]iminomethyl]-4-oxo-1-phenylcyclohexyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 123649494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).