N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide

C18H24N2O3 — CID 99822738

IUPACN-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCCCC1
InChIInChI=1S/C18H24N2O3/c1-13(2)23-16-8-7-15(11-14(16)12-19)20-17(21)18(22-3)9-5-4-6-10-18/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,20,21)
InChIKeyGPGCDAGJMSUKGH-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.63
Rot. Bonds5

About N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide

N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide (PubChem CID 99822738) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide
PubChem CID99822738
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCCCC1
InChIInChI=1S/C18H24N2O3/c1-13(2)23-16-8-7-15(11-14(16)12-19)20-17(21)18(22-3)9-5-4-6-10-18/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,20,21)
InChIKeyGPGCDAGJMSUKGH-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4-propan-2-yloxyphenyl)-1-ethoxycyclopentane-1-carboxamide
CID 100761719
cis-(1R,3R)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100757206
cis-(1S,3S)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100757213
N-[3-cyano-4-(2-methylpropoxy)phenyl]-1-methoxycyclohexane-1-carboxamide
CID 100756310
[2-cyano-4-[(1-methoxycyclohexanecarbonyl)amino]phenyl] acetate
CID 100756395
cis-(1S,3S)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100762589
N-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide
CID 100767233
N-(3-cyano-4-ethoxyphenyl)-1-methoxy-4-methylcyclohexane-1-carboxamide
CID 100757701
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxycycloheptane-1-carboxamide
CID 100705167
N-(4-butoxy-3-cyanophenyl)-1-ethoxycyclohexane-1-carboxamide
CID 100761993
[2-cyano-4-[(1-propoxycycloheptanecarbonyl)amino]phenyl] acetate
CID 100767545
[2-cyano-4-[(1-propoxycyclohexanecarbonyl)amino]phenyl] acetate
CID 100767323

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide?
The IUPAC name of N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide (CID 99822738) is N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide?
The canonical SMILES for N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide is COC1(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCCCC1.
What is the InChIKey of N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide?
The InChIKey is GPGCDAGJMSUKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(2)23-16-8-7-15(11-14(16)12-19)20-17(21)18(22-3)9-5-4-6-10-18/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,20,21).
What are the key properties of N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide?
N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 3.63, 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-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 99822738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).