trans-(1S,3R)-1-ethoxy-N-(6-methoxy-3-pyridinyl)-3-methylcyclohexane-1-carboxamide

C16H24N2O3 — CID 100777074

IUPACtrans-(1S,3R)-1-ethoxy-N-(6-methoxy-3-pyridinyl)-3-methylcyclohexane-1-carboxamide
SMILESCCO[C@@]1(C(=O)Nc2ccc(OC)nc2)CCC[C@@H](C)C1
InChIInChI=1S/C16H24N2O3/c1-4-21-16(9-5-6-12(2)10-16)15(19)18-13-7-8-14(20-3)17-11-13/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,18,19)/t12-,16+/m1/s1
InChIKeyUOKAEUOOKDIFQM-WBMJQRKESA-N
MW292.38 g/mol
LogP3.01
Rot. Bonds5

About trans-(1S,3R)-1-ethoxy-N-(6-methoxy-3-pyridinyl)-3-methylcyclohexane-1-carboxamide

trans-(1S,3R)-1-ethoxy-N-(6-methoxy-3-pyridinyl)-3-methylcyclohexane-1-carboxamide (PubChem CID 100777074) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is trans-(1S,3R)-1-ethoxy-N-(6-methoxy-3-pyridinyl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3R)-1-ethoxy-N-(6-methoxy-3-pyridinyl)-3-methylcyclohexane-1-carboxamide
PubChem CID100777074
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametrans-(1S,3R)-1-ethoxy-N-(6-methoxy-3-pyridinyl)-3-methylcyclohexane-1-carboxamide
SMILESCCO[C@@]1(C(=O)Nc2ccc(OC)nc2)CCC[C@@H](C)C1
InChIInChI=1S/C16H24N2O3/c1-4-21-16(9-5-6-12(2)10-16)15(19)18-13-7-8-14(20-3)17-11-13/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,18,19)/t12-,16+/m1/s1
InChIKeyUOKAEUOOKDIFQM-WBMJQRKESA-N
XLogP3.01
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3S)-1-ethoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylcyclohexane-1-carboxamide
CID 100777116
trans-(1R,3S)-N-(6-ethoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100778455
cis-(1R,3R)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100778483
N-[6-(2-ethoxyethoxy)-3-pyridinyl]-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133205965
trans-(1S,3R)-N-(6-butoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100778472
cis-(1S,3S)-1-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylcyclohexane-1-carboxamide
CID 100775383
1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 133246838
methyl 2-ethoxy-5-[[(1R,3R)-1-ethoxy-3-methylcyclohexanecarbonyl]amino]benzoate
CID 100762269
N-(4-cyclopentyloxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 133246808
methyl 5-[[(1R,3R)-1-ethoxy-3-methylcyclohexanecarbonyl]amino]-2-propoxybenzoate
CID 100762284
ethyl 5-[[(1R,3S)-1-ethoxy-3-methylcyclohexanecarbonyl]amino]-2-methoxybenzoate
CID 100762385
trans-(1S,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100732389

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-1-ethoxy-N-(6-methoxy-3-pyridinyl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,3R)-1-ethoxy-N-(6-methoxy-3-pyridinyl)-3-methylcyclohexane-1-carboxamide (CID 100777074) is trans-(1S,3R)-1-ethoxy-N-(6-methoxy-3-pyridinyl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,3R)-1-ethoxy-N-(6-methoxy-3-pyridinyl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,3R)-1-ethoxy-N-(6-methoxy-3-pyridinyl)-3-methylcyclohexane-1-carboxamide is CCO[C@@]1(C(=O)Nc2ccc(OC)nc2)CCC[C@@H](C)C1.
What is the InChIKey of trans-(1S,3R)-1-ethoxy-N-(6-methoxy-3-pyridinyl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is UOKAEUOOKDIFQM-WBMJQRKESA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-21-16(9-5-6-12(2)10-16)15(19)18-13-7-8-14(20-3)17-11-13/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,18,19)/t12-,16+/m1/s1.
What are the key properties of trans-(1S,3R)-1-ethoxy-N-(6-methoxy-3-pyridinyl)-3-methylcyclohexane-1-carboxamide?
trans-(1S,3R)-1-ethoxy-N-(6-methoxy-3-pyridinyl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-1-ethoxy-N-(6-methoxy-3-pyridinyl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 100777074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).