N-(3-cyano-4-ethoxyphenyl)-1-methoxy-4-methylcyclohexane-1-carboxamide

C18H24N2O3 — CID 100757701

IUPACN-(3-cyano-4-ethoxyphenyl)-1-methoxy-4-methylcyclohexane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1C#N
InChIInChI=1S/C18H24N2O3/c1-4-23-16-6-5-15(11-14(16)12-19)20-17(21)18(22-3)9-7-13(2)8-10-18/h5-6,11,13H,4,7-10H2,1-3H3,(H,20,21)
InChIKeyUDFLPPJGSYCPGR-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.49
Rot. Bonds5

About N-(3-cyano-4-ethoxyphenyl)-1-methoxy-4-methylcyclohexane-1-carboxamide

N-(3-cyano-4-ethoxyphenyl)-1-methoxy-4-methylcyclohexane-1-carboxamide (PubChem CID 100757701) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(3-cyano-4-ethoxyphenyl)-1-methoxy-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-ethoxyphenyl)-1-methoxy-4-methylcyclohexane-1-carboxamide
PubChem CID100757701
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-(3-cyano-4-ethoxyphenyl)-1-methoxy-4-methylcyclohexane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1C#N
InChIInChI=1S/C18H24N2O3/c1-4-23-16-6-5-15(11-14(16)12-19)20-17(21)18(22-3)9-7-13(2)8-10-18/h5-6,11,13H,4,7-10H2,1-3H3,(H,20,21)
InChIKeyUDFLPPJGSYCPGR-UHFFFAOYSA-N
XLogP3.49
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-cyano-4-(2-methylpropoxy)phenyl]-1-methoxycyclohexane-1-carboxamide
CID 100756310
methyl 2-ethoxy-5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]benzoate
CID 100763017
N-[3-cyano-4-(2-methylpropoxy)phenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 133203958
cis-(1S,3S)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100757213
cis-(1R,3R)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100757206
ethyl 2-butoxy-5-[(1-methoxy-4-methylcyclohexanecarbonyl)amino]benzoate
CID 100757676
[2-cyano-4-[(1-methoxycyclohexanecarbonyl)amino]phenyl] acetate
CID 100756395
N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 99822738
cis-(1S,3S)-N-(4-ethoxy-3-methylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707022
N-(4-butoxy-3-cyanophenyl)-1-ethoxycyclohexane-1-carboxamide
CID 100761993
cis-(1S,3S)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100762589
methyl 2-ethoxy-5-[[(1R,3S)-1-methoxy-3-methylcyclohexanecarbonyl]amino]benzoate
CID 100756804

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-ethoxyphenyl)-1-methoxy-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(3-cyano-4-ethoxyphenyl)-1-methoxy-4-methylcyclohexane-1-carboxamide (CID 100757701) is N-(3-cyano-4-ethoxyphenyl)-1-methoxy-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-cyano-4-ethoxyphenyl)-1-methoxy-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3-cyano-4-ethoxyphenyl)-1-methoxy-4-methylcyclohexane-1-carboxamide is CCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1C#N.
What is the InChIKey of N-(3-cyano-4-ethoxyphenyl)-1-methoxy-4-methylcyclohexane-1-carboxamide?
The InChIKey is UDFLPPJGSYCPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-4-23-16-6-5-15(11-14(16)12-19)20-17(21)18(22-3)9-7-13(2)8-10-18/h5-6,11,13H,4,7-10H2,1-3H3,(H,20,21).
What are the key properties of N-(3-cyano-4-ethoxyphenyl)-1-methoxy-4-methylcyclohexane-1-carboxamide?
N-(3-cyano-4-ethoxyphenyl)-1-methoxy-4-methylcyclohexane-1-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-ethoxyphenyl)-1-methoxy-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 100757701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).