N-[3-cyano-4-(2-methylpropoxy)phenyl]-1-methoxycyclohexane-1-carboxamide

C19H26N2O3 — CID 100756310

IUPACN-[3-cyano-4-(2-methylpropoxy)phenyl]-1-methoxycyclohexane-1-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCCCC1
InChIInChI=1S/C19H26N2O3/c1-14(2)13-24-17-8-7-16(11-15(17)12-20)21-18(22)19(23-3)9-5-4-6-10-19/h7-8,11,14H,4-6,9-10,13H2,1-3H3,(H,21,22)
InChIKeyZZVGIEHWZFJUDO-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.88
Rot. Bonds6

About N-[3-cyano-4-(2-methylpropoxy)phenyl]-1-methoxycyclohexane-1-carboxamide

N-[3-cyano-4-(2-methylpropoxy)phenyl]-1-methoxycyclohexane-1-carboxamide (PubChem CID 100756310) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[3-cyano-4-(2-methylpropoxy)phenyl]-1-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-4-(2-methylpropoxy)phenyl]-1-methoxycyclohexane-1-carboxamide
PubChem CID100756310
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[3-cyano-4-(2-methylpropoxy)phenyl]-1-methoxycyclohexane-1-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCCCC1
InChIInChI=1S/C19H26N2O3/c1-14(2)13-24-17-8-7-16(11-15(17)12-20)21-18(22)19(23-3)9-5-4-6-10-19/h7-8,11,14H,4-6,9-10,13H2,1-3H3,(H,21,22)
InChIKeyZZVGIEHWZFJUDO-UHFFFAOYSA-N
XLogP3.88
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 99822738
[2-cyano-4-[(1-methoxycyclohexanecarbonyl)amino]phenyl] acetate
CID 100756395
1-(2-chlorophenyl)-N-[3-cyano-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 100747004
N-[3-cyano-4-(2-methylpropoxy)phenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 133203958
N-(3-cyano-4-ethoxyphenyl)-1-methoxy-4-methylcyclohexane-1-carboxamide
CID 100757701
N-(4-butoxy-3-cyanophenyl)-1-ethoxycyclohexane-1-carboxamide
CID 100761993
N-(3-cyano-4-propan-2-yloxyphenyl)-1-ethoxycyclopentane-1-carboxamide
CID 100761719
N-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide
CID 100767233
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,2-dimethylpropanamide
CID 100751118
[2-cyano-4-[(1-propoxycyclohexanecarbonyl)amino]phenyl] acetate
CID 100767323
[2-cyano-4-[(1-propoxycycloheptanecarbonyl)amino]phenyl] acetate
CID 100767545
cis-(1R,3R)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100757206

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(2-methylpropoxy)phenyl]-1-methoxycyclohexane-1-carboxamide?
The IUPAC name of N-[3-cyano-4-(2-methylpropoxy)phenyl]-1-methoxycyclohexane-1-carboxamide (CID 100756310) is N-[3-cyano-4-(2-methylpropoxy)phenyl]-1-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-cyano-4-(2-methylpropoxy)phenyl]-1-methoxycyclohexane-1-carboxamide?
The canonical SMILES for N-[3-cyano-4-(2-methylpropoxy)phenyl]-1-methoxycyclohexane-1-carboxamide is COC1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCCCC1.
What is the InChIKey of N-[3-cyano-4-(2-methylpropoxy)phenyl]-1-methoxycyclohexane-1-carboxamide?
The InChIKey is ZZVGIEHWZFJUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14(2)13-24-17-8-7-16(11-15(17)12-20)21-18(22)19(23-3)9-5-4-6-10-19/h7-8,11,14H,4-6,9-10,13H2,1-3H3,(H,21,22).
What are the key properties of N-[3-cyano-4-(2-methylpropoxy)phenyl]-1-methoxycyclohexane-1-carboxamide?
N-[3-cyano-4-(2-methylpropoxy)phenyl]-1-methoxycyclohexane-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 3.88, 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-(2-methylpropoxy)phenyl]-1-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 100756310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).