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

C18H27NO3 — CID 100731776

IUPACcis-(1S,3S)-1-ethoxy-N-(4-ethoxyphenyl)-3-methylcyclohexane-1-carboxamide
SMILESCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1
InChIInChI=1S/C18H27NO3/c1-4-21-16-10-8-15(9-11-16)19-17(20)18(22-5-2)12-6-7-14(3)13-18/h8-11,14H,4-7,12-13H2,1-3H3,(H,19,20)/t14-,18-/m0/s1
InChIKeyNRRVDWKZVSRMSP-KSSFIOAISA-N
MW305.42 g/mol
LogP4.01
Rot. Bonds6

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

cis-(1S,3S)-1-ethoxy-N-(4-ethoxyphenyl)-3-methylcyclohexane-1-carboxamide (PubChem CID 100731776) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is cis-(1S,3S)-1-ethoxy-N-(4-ethoxyphenyl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3S)-1-ethoxy-N-(4-ethoxyphenyl)-3-methylcyclohexane-1-carboxamide
PubChem CID100731776
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Namecis-(1S,3S)-1-ethoxy-N-(4-ethoxyphenyl)-3-methylcyclohexane-1-carboxamide
SMILESCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1
InChIInChI=1S/C18H27NO3/c1-4-21-16-10-8-15(9-11-16)19-17(20)18(22-5-2)12-6-7-14(3)13-18/h8-11,14H,4-7,12-13H2,1-3H3,(H,19,20)/t14-,18-/m0/s1
InChIKeyNRRVDWKZVSRMSP-KSSFIOAISA-N
XLogP4.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100732389
N-(4-cyclopentyloxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 133246808
N-[4-[2-(diethylamino)ethoxy]phenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 133246817
cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 100714327
N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 133246824
cis-(1R,3R)-1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 100733208
1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 133246838
trans-(1S,3R)-1-ethoxy-3-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 100732921
trans-(1S,3R)-1-ethoxy-3-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100732660
trans-(1R,3S)-N-(3-chloro-4-ethoxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100733931
trans-(1S,3R)-1-ethoxy-N-(6-methoxy-3-pyridinyl)-3-methylcyclohexane-1-carboxamide
CID 100777074
methyl 2-ethoxy-5-[[(1R,3R)-1-ethoxy-3-methylcyclohexanecarbonyl]amino]benzoate
CID 100762269

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-1-ethoxy-N-(4-ethoxyphenyl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3S)-1-ethoxy-N-(4-ethoxyphenyl)-3-methylcyclohexane-1-carboxamide (CID 100731776) is cis-(1S,3S)-1-ethoxy-N-(4-ethoxyphenyl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3S)-1-ethoxy-N-(4-ethoxyphenyl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3S)-1-ethoxy-N-(4-ethoxyphenyl)-3-methylcyclohexane-1-carboxamide is CCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1.
What is the InChIKey of cis-(1S,3S)-1-ethoxy-N-(4-ethoxyphenyl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is NRRVDWKZVSRMSP-KSSFIOAISA-N. The full InChI is InChI=1S/C18H27NO3/c1-4-21-16-10-8-15(9-11-16)19-17(20)18(22-5-2)12-6-7-14(3)13-18/h8-11,14H,4-7,12-13H2,1-3H3,(H,19,20)/t14-,18-/m0/s1.
What are the key properties of cis-(1S,3S)-1-ethoxy-N-(4-ethoxyphenyl)-3-methylcyclohexane-1-carboxamide?
cis-(1S,3S)-1-ethoxy-N-(4-ethoxyphenyl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-1-ethoxy-N-(4-ethoxyphenyl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 100731776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).