N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-1-methoxy-4-methylcyclohexane-1-carboxamide

C19H30N2O4 — CID 100775701

IUPACN-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
SMILESCCOCCOc1ncc(NC(=O)C2(OC)CCC(C)CC2)cc1C
InChIInChI=1S/C19H30N2O4/c1-5-24-10-11-25-17-15(3)12-16(13-20-17)21-18(22)19(23-4)8-6-14(2)7-9-19/h12-14H,5-11H2,1-4H3,(H,21,22)
InChIKeyAVKHSTNEYOKXPL-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.34
Rot. Bonds8

About N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-1-methoxy-4-methylcyclohexane-1-carboxamide

N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-1-methoxy-4-methylcyclohexane-1-carboxamide (PubChem CID 100775701) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-1-methoxy-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
PubChem CID100775701
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
SMILESCCOCCOc1ncc(NC(=O)C2(OC)CCC(C)CC2)cc1C
InChIInChI=1S/C19H30N2O4/c1-5-24-10-11-25-17-15(3)12-16(13-20-17)21-18(22)19(23-4)8-6-14(2)7-9-19/h12-14H,5-11H2,1-4H3,(H,21,22)
InChIKeyAVKHSTNEYOKXPL-UHFFFAOYSA-N
XLogP3.34
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,3S)-N-(6-butoxy-5-methyl-3-pyridinyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100777234
trans-(1S,3R)-1-methoxy-N-(6-methoxy-5-methyl-3-pyridinyl)-3-methylcyclohexane-1-carboxamide
CID 100775479
N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-1-propoxycyclohexane-1-carboxamide
CID 100778344
1-(4-chlorophenyl)-N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]cyclohexane-1-carboxamide
CID 100771359
1-ethoxy-N-(5-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100776998
N-(6-butoxy-5-methyl-3-pyridinyl)-1-ethoxycycloheptane-1-carboxamide
CID 100777054
N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
CID 100708507
1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-4-methylcyclohexane-1-carboxamide
CID 100708275
1-methyl-N-(5-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100773790
1-ethoxy-N-(4-methoxy-3,5-dimethylphenyl)-4-methylcyclohexane-1-carboxamide
CID 100734559
ethyl 2-butoxy-5-[(1-methoxy-4-methylcyclohexanecarbonyl)amino]benzoate
CID 100757676
N-[4-(2-bromoethoxy)phenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
CID 100707995

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-1-methoxy-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-1-methoxy-4-methylcyclohexane-1-carboxamide (CID 100775701) is N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-1-methoxy-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-1-methoxy-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-1-methoxy-4-methylcyclohexane-1-carboxamide is CCOCCOc1ncc(NC(=O)C2(OC)CCC(C)CC2)cc1C.
What is the InChIKey of N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-1-methoxy-4-methylcyclohexane-1-carboxamide?
The InChIKey is AVKHSTNEYOKXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-5-24-10-11-25-17-15(3)12-16(13-20-17)21-18(22)19(23-4)8-6-14(2)7-9-19/h12-14H,5-11H2,1-4H3,(H,21,22).
What are the key properties of N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-1-methoxy-4-methylcyclohexane-1-carboxamide?
N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-1-methoxy-4-methylcyclohexane-1-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-1-methoxy-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 100775701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).