cis-(1R,3R)-1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide

C19H29NO3 — CID 100733208

IUPACcis-(1R,3R)-1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1C
InChIInChI=1S/C19H29NO3/c1-5-22-17-10-9-16(12-15(17)4)20-18(21)19(23-6-2)11-7-8-14(3)13-19/h9-10,12,14H,5-8,11,13H2,1-4H3,(H,20,21)/t14-,19-/m1/s1
InChIKeyIIIWKOFQFZQWKE-AUUYWEPGSA-N
MW319.45 g/mol
LogP4.32
Rot. Bonds6

About cis-(1R,3R)-1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide

cis-(1R,3R)-1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide (PubChem CID 100733208) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is cis-(1R,3R)-1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3R)-1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide
PubChem CID100733208
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Namecis-(1R,3R)-1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1C
InChIInChI=1S/C19H29NO3/c1-5-22-17-10-9-16(12-15(17)4)20-18(21)19(23-6-2)11-7-8-14(3)13-19/h9-10,12,14H,5-8,11,13H2,1-4H3,(H,20,21)/t14-,19-/m1/s1
InChIKeyIIIWKOFQFZQWKE-AUUYWEPGSA-N
XLogP4.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 133246838
cis-(1S,3S)-N-(4-ethoxy-3-methylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707022
trans-(1R,3S)-N-(3-chloro-4-ethoxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100733931
trans-(1R,3S)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 125060693
cis-(1R,3R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100733359
methyl 2-ethoxy-5-[[(1R,3R)-1-ethoxy-3-methylcyclohexanecarbonyl]amino]benzoate
CID 100762269
cis-(1S,3S)-1-ethoxy-N-(4-ethoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 100731776
cis-(1R,3R)-N-(3-chloro-4-ethoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100716342
ethyl 5-[[(1R,3S)-1-ethoxy-3-methylcyclohexanecarbonyl]amino]-2-methoxybenzoate
CID 100762385
ethyl 2-butoxy-5-[(1-ethoxy-3-methylcyclohexanecarbonyl)amino]benzoate
CID 133203950
methyl 5-[[(1R,3R)-1-ethoxy-3-methylcyclohexanecarbonyl]amino]-2-propoxybenzoate
CID 100762284
ethyl 2-ethoxy-5-[[(1S,3R)-1-methoxy-3-methylcyclohexanecarbonyl]amino]benzoate
CID 100756963

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3R)-1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide (CID 100733208) is cis-(1R,3R)-1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3R)-1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3R)-1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide is CCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1C.
What is the InChIKey of cis-(1R,3R)-1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is IIIWKOFQFZQWKE-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H29NO3/c1-5-22-17-10-9-16(12-15(17)4)20-18(21)19(23-6-2)11-7-8-14(3)13-19/h9-10,12,14H,5-8,11,13H2,1-4H3,(H,20,21)/t14-,19-/m1/s1.
What are the key properties of cis-(1R,3R)-1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide?
cis-(1R,3R)-1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 100733208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).