N-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide

C18H24N2O3 — CID 100767233

IUPACN-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OC)c(C#N)c2)CCCCC1
InChIInChI=1S/C18H24N2O3/c1-3-11-23-18(9-5-4-6-10-18)17(21)20-15-7-8-16(22-2)14(12-15)13-19/h7-8,12H,3-6,9-11H2,1-2H3,(H,20,21)
InChIKeyZLRBAZBZIHFZNT-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.63
Rot. Bonds6

About N-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide

N-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide (PubChem CID 100767233) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide
PubChem CID100767233
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OC)c(C#N)c2)CCCCC1
InChIInChI=1S/C18H24N2O3/c1-3-11-23-18(9-5-4-6-10-18)17(21)20-15-7-8-16(22-2)14(12-15)13-19/h7-8,12H,3-6,9-11H2,1-2H3,(H,20,21)
InChIKeyZLRBAZBZIHFZNT-UHFFFAOYSA-N
XLogP3.63
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

[2-cyano-4-[(1-propoxycyclohexanecarbonyl)amino]phenyl] acetate
CID 100767323
[2-cyano-4-[(1-propoxycycloheptanecarbonyl)amino]phenyl] acetate
CID 100767545
N-(4-butoxy-3-cyanophenyl)-1-ethoxycyclohexane-1-carboxamide
CID 100761993
N-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712623
N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-propoxycycloheptane-1-carboxamide
CID 100767379
N-(2-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide
CID 100767273
N-(2-cyano-4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100767499
N-(3-cyano-4-propan-2-yloxyphenyl)-1-ethoxycyclopentane-1-carboxamide
CID 100761719
N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100713654
[2-cyano-4-[(1-methoxycyclohexanecarbonyl)amino]phenyl] acetate
CID 100756395
N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 99822738
N-[3-cyano-4-(2-methylpropoxy)phenyl]-1-methoxycyclohexane-1-carboxamide
CID 100756310

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide?
The IUPAC name of N-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide (CID 100767233) is N-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide?
The canonical SMILES for N-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide is CCCOC1(C(=O)Nc2ccc(OC)c(C#N)c2)CCCCC1.
What is the InChIKey of N-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide?
The InChIKey is ZLRBAZBZIHFZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-11-23-18(9-5-4-6-10-18)17(21)20-15-7-8-16(22-2)14(12-15)13-19/h7-8,12H,3-6,9-11H2,1-2H3,(H,20,21).
What are the key properties of N-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide?
N-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide is sourced from PubChem (CID 100767233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).