trans-(1R,3S)-N-(4-ethoxy-3,5-dimethylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide

C19H29NO3 — CID 100707319

IUPACtrans-(1R,3S)-N-(4-ethoxy-3,5-dimethylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
SMILESCCOc1c(C)cc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1C
InChIInChI=1S/C19H29NO3/c1-6-23-17-14(3)10-16(11-15(17)4)20-18(21)19(22-5)9-7-8-13(2)12-19/h10-11,13H,6-9,12H2,1-5H3,(H,20,21)/t13-,19+/m0/s1
InChIKeyHUWNVJMYRBLBPV-ORAYPTAESA-N
MW319.45 g/mol
LogP4.24
Rot. Bonds5

About trans-(1R,3S)-N-(4-ethoxy-3,5-dimethylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide

trans-(1R,3S)-N-(4-ethoxy-3,5-dimethylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide (PubChem CID 100707319) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is trans-(1R,3S)-N-(4-ethoxy-3,5-dimethylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3S)-N-(4-ethoxy-3,5-dimethylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
PubChem CID100707319
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Nametrans-(1R,3S)-N-(4-ethoxy-3,5-dimethylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
SMILESCCOc1c(C)cc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1C
InChIInChI=1S/C19H29NO3/c1-6-23-17-14(3)10-16(11-15(17)4)20-18(21)19(22-5)9-7-8-13(2)12-19/h10-11,13H,6-9,12H2,1-5H3,(H,20,21)/t13-,19+/m0/s1
InChIKeyHUWNVJMYRBLBPV-ORAYPTAESA-N
XLogP4.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,3R)-N-(4-butoxy-3,5-dimethylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707392
cis-(1S,3S)-N-(4-ethoxy-3-methylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707022
trans-(1S,3R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707497
cis-(1S,3S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707365
trans-(1R,3S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707373
trans-(1S,3R)-1-methoxy-N-(6-methoxy-5-methyl-3-pyridinyl)-3-methylcyclohexane-1-carboxamide
CID 100775479
ethyl 2-ethoxy-5-[[(1S,3S)-1-methoxy-3-methylcyclohexanecarbonyl]amino]benzoate
CID 100756976
ethyl 2-ethoxy-5-[[(1S,3R)-1-methoxy-3-methylcyclohexanecarbonyl]amino]benzoate
CID 100756963
methyl 2-ethoxy-5-[[(1R,3S)-1-methoxy-3-methylcyclohexanecarbonyl]amino]benzoate
CID 100756804
trans-(1S,3R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100733660
1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 133246838
cis-(1R,3R)-1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 100733208

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-N-(4-ethoxy-3,5-dimethylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,3S)-N-(4-ethoxy-3,5-dimethylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide (CID 100707319) is trans-(1R,3S)-N-(4-ethoxy-3,5-dimethylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,3S)-N-(4-ethoxy-3,5-dimethylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,3S)-N-(4-ethoxy-3,5-dimethylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide is CCOc1c(C)cc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1C.
What is the InChIKey of trans-(1R,3S)-N-(4-ethoxy-3,5-dimethylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide?
The InChIKey is HUWNVJMYRBLBPV-ORAYPTAESA-N. The full InChI is InChI=1S/C19H29NO3/c1-6-23-17-14(3)10-16(11-15(17)4)20-18(21)19(22-5)9-7-8-13(2)12-19/h10-11,13H,6-9,12H2,1-5H3,(H,20,21)/t13-,19+/m0/s1.
What are the key properties of trans-(1R,3S)-N-(4-ethoxy-3,5-dimethylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide?
trans-(1R,3S)-N-(4-ethoxy-3,5-dimethylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-N-(4-ethoxy-3,5-dimethylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 100707319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).