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

C18H27NO3 — CID 100707022

IUPACcis-(1S,3S)-N-(4-ethoxy-3-methylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
SMILESCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C
InChIInChI=1S/C18H27NO3/c1-5-22-16-9-8-15(11-14(16)3)19-17(20)18(21-4)10-6-7-13(2)12-18/h8-9,11,13H,5-7,10,12H2,1-4H3,(H,19,20)/t13-,18-/m0/s1
InChIKeyKANDUDJZKWZKFZ-UGSOOPFHSA-N
MW305.42 g/mol
LogP3.93
Rot. Bonds5

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

cis-(1S,3S)-N-(4-ethoxy-3-methylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide (PubChem CID 100707022) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is cis-(1S,3S)-N-(4-ethoxy-3-methylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3S)-N-(4-ethoxy-3-methylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
PubChem CID100707022
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Namecis-(1S,3S)-N-(4-ethoxy-3-methylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
SMILESCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C
InChIInChI=1S/C18H27NO3/c1-5-22-16-9-8-15(11-14(16)3)19-17(20)18(21-4)10-6-7-13(2)12-18/h8-9,11,13H,5-7,10,12H2,1-4H3,(H,19,20)/t13-,18-/m0/s1
InChIKeyKANDUDJZKWZKFZ-UGSOOPFHSA-N
XLogP3.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.93
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-(1R,3R)-1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 100733208
ethyl 2-ethoxy-5-[[(1S,3R)-1-methoxy-3-methylcyclohexanecarbonyl]amino]benzoate
CID 100756963
ethyl 2-ethoxy-5-[[(1S,3S)-1-methoxy-3-methylcyclohexanecarbonyl]amino]benzoate
CID 100756976
methyl 2-ethoxy-5-[[(1R,3S)-1-methoxy-3-methylcyclohexanecarbonyl]amino]benzoate
CID 100756804
trans-(1R,3S)-N-(4-ethoxy-3,5-dimethylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707319
trans-(1R,3S)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 125061182
trans-(1S,3R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707161
ethyl 5-[[(1S,3S)-1-methoxy-3-methylcyclohexanecarbonyl]amino]-2-propoxybenzoate
CID 100757005
methyl 2-ethoxy-5-[[(1R,3R)-1-ethoxy-3-methylcyclohexanecarbonyl]amino]benzoate
CID 100762269
trans-(1R,3S)-N-(3-chloro-4-ethoxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100733931
methyl 5-[(1-methoxy-3-methylcyclohexanecarbonyl)amino]-2-propoxybenzoate
CID 133229890

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-N-(4-ethoxy-3-methylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3S)-N-(4-ethoxy-3-methylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide (CID 100707022) is cis-(1S,3S)-N-(4-ethoxy-3-methylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3S)-N-(4-ethoxy-3-methylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3S)-N-(4-ethoxy-3-methylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide is CCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C.
What is the InChIKey of cis-(1S,3S)-N-(4-ethoxy-3-methylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide?
The InChIKey is KANDUDJZKWZKFZ-UGSOOPFHSA-N. The full InChI is InChI=1S/C18H27NO3/c1-5-22-16-9-8-15(11-14(16)3)19-17(20)18(21-4)10-6-7-13(2)12-18/h8-9,11,13H,5-7,10,12H2,1-4H3,(H,19,20)/t13-,18-/m0/s1.
What are the key properties of cis-(1S,3S)-N-(4-ethoxy-3-methylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide?
cis-(1S,3S)-N-(4-ethoxy-3-methylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-N-(4-ethoxy-3-methylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 100707022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).