N-(2-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide

C18H24N2O3 — CID 100767273

IUPACN-(2-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OC)cc2C#N)CCCCC1
InChIInChI=1S/C18H24N2O3/c1-3-11-23-18(9-5-4-6-10-18)17(21)20-16-8-7-15(22-2)12-14(16)13-19/h7-8,12H,3-6,9-11H2,1-2H3,(H,20,21)
InChIKeyKQRPAWSTKFZLNO-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.63
Rot. Bonds6

About N-(2-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide

N-(2-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide (PubChem CID 100767273) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(2-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide
PubChem CID100767273
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-(2-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OC)cc2C#N)CCCCC1
InChIInChI=1S/C18H24N2O3/c1-3-11-23-18(9-5-4-6-10-18)17(21)20-16-8-7-15(22-2)12-14(16)13-19/h7-8,12H,3-6,9-11H2,1-2H3,(H,20,21)
InChIKeyKQRPAWSTKFZLNO-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

N-(2-cyano-4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100767499
[3-cyano-4-[(1-ethoxycyclohexanecarbonyl)amino]phenyl] acetate
CID 100762043
N-(2-cyano-4-propoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 100747593
cis-(1R,3R)-N-(2-cyano-4-propoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100768083
N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxycyclohexane-1-carboxamide
CID 100762030
N-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide
CID 100767233
N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100713654
N-[2-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide
CID 100768567
N-(4-butoxy-2-cyanophenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100744352
trans-(1R,3S)-N-(2-cyano-4-methoxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100757283
N-(2-cyano-4-methoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100721529
[2-cyano-4-[(1-propoxycyclohexanecarbonyl)amino]phenyl] acetate
CID 100767323

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide?
The IUPAC name of N-(2-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide (CID 100767273) is N-(2-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide?
The canonical SMILES for N-(2-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide is CCCOC1(C(=O)Nc2ccc(OC)cc2C#N)CCCCC1.
What is the InChIKey of N-(2-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide?
The InChIKey is KQRPAWSTKFZLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-11-23-18(9-5-4-6-10-18)17(21)20-16-8-7-15(22-2)12-14(16)13-19/h7-8,12H,3-6,9-11H2,1-2H3,(H,20,21).
What are the key properties of N-(2-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide?
N-(2-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-(2-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide is sourced from PubChem (CID 100767273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).