N-[(2-hydroxycyclohexyl)methyl]-4-[(E)-methoxyiminomethyl]-N-methylbenzamide

C17H24N2O3 — CID 110003396

IUPACN-[(2-hydroxycyclohexyl)methyl]-4-[(E)-methoxyiminomethyl]-N-methylbenzamide
SMILESCO/N=C/c1ccc(C(=O)N(C)CC2CCCCC2O)cc1
InChIInChI=1S/C17H24N2O3/c1-19(12-15-5-3-4-6-16(15)20)17(21)14-9-7-13(8-10-14)11-18-22-2/h7-11,15-16,20H,3-6,12H2,1-2H3/b18-11+
InChIKeyURFRKARCMUZSHJ-WOJGMQOQSA-N
MW304.39 g/mol
LogP2.29
Rot. Bonds5

About N-[(2-hydroxycyclohexyl)methyl]-4-[(E)-methoxyiminomethyl]-N-methylbenzamide

N-[(2-hydroxycyclohexyl)methyl]-4-[(E)-methoxyiminomethyl]-N-methylbenzamide (PubChem CID 110003396) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-4-[(E)-methoxyiminomethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-4-[(E)-methoxyiminomethyl]-N-methylbenzamide
PubChem CID110003396
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-4-[(E)-methoxyiminomethyl]-N-methylbenzamide
SMILESCO/N=C/c1ccc(C(=O)N(C)CC2CCCCC2O)cc1
InChIInChI=1S/C17H24N2O3/c1-19(12-15-5-3-4-6-16(15)20)17(21)14-9-7-13(8-10-14)11-18-22-2/h7-11,15-16,20H,3-6,12H2,1-2H3/b18-11+
InChIKeyURFRKARCMUZSHJ-WOJGMQOQSA-N
XLogP2.29
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
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

4-cyclopentyloxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 109399951
4-(methoxyiminomethyl)-N,N-dipropylbenzamide
CID 102603410
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110003457
4-(4-ethylpiperazin-1-yl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 109400509
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 109400327
4-(methoxyiminomethyl)-N,N-bis(prop-2-enyl)benzamide
CID 102603422
3-N-[(2-hydroxycyclohexyl)methyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 110003462
N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 110003398
6-(cyclopropylmethoxy)-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide
CID 109400138
5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide
CID 110003382
N-[4-[(2-hydroxycyclopentyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 109400174
N-[(2-hydroxycyclopentyl)methyl]-N,4-dimethyl-3-nitrobenzamide
CID 109399669

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-4-[(E)-methoxyiminomethyl]-N-methylbenzamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-4-[(E)-methoxyiminomethyl]-N-methylbenzamide (CID 110003396) is N-[(2-hydroxycyclohexyl)methyl]-4-[(E)-methoxyiminomethyl]-N-methylbenzamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-4-[(E)-methoxyiminomethyl]-N-methylbenzamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-4-[(E)-methoxyiminomethyl]-N-methylbenzamide is CO/N=C/c1ccc(C(=O)N(C)CC2CCCCC2O)cc1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-4-[(E)-methoxyiminomethyl]-N-methylbenzamide?
The InChIKey is URFRKARCMUZSHJ-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-19(12-15-5-3-4-6-16(15)20)17(21)14-9-7-13(8-10-14)11-18-22-2/h7-11,15-16,20H,3-6,12H2,1-2H3/b18-11+.
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-4-[(E)-methoxyiminomethyl]-N-methylbenzamide?
N-[(2-hydroxycyclohexyl)methyl]-4-[(E)-methoxyiminomethyl]-N-methylbenzamide has a molecular weight of 304.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-4-[(E)-methoxyiminomethyl]-N-methylbenzamide is sourced from PubChem (CID 110003396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).