N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxycyclohexane-1-carboxamide

C20H28N2O3 — CID 100762030

IUPACN-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxycyclohexane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2C#N)CCCCC1
InChIInChI=1S/C20H28N2O3/c1-4-15(3)25-17-9-10-18(16(13-17)14-21)22-19(23)20(24-5-2)11-7-6-8-12-20/h9-10,13,15H,4-8,11-12H2,1-3H3,(H,22,23)/t15-/m0/s1
InChIKeyDOFZDMDSFDJMJX-HNNXBMFYSA-N
MW344.46 g/mol
LogP4.41
Rot. Bonds7

About N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxycyclohexane-1-carboxamide

N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxycyclohexane-1-carboxamide (PubChem CID 100762030) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxycyclohexane-1-carboxamide
PubChem CID100762030
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC NameN-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxycyclohexane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2C#N)CCCCC1
InChIInChI=1S/C20H28N2O3/c1-4-15(3)25-17-9-10-18(16(13-17)14-21)22-19(23)20(24-5-2)11-7-6-8-12-20/h9-10,13,15H,4-8,11-12H2,1-3H3,(H,22,23)/t15-/m0/s1
InChIKeyDOFZDMDSFDJMJX-HNNXBMFYSA-N
XLogP4.41
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide
CID 100763184
[3-cyano-4-[(1-ethoxycyclohexanecarbonyl)amino]phenyl] acetate
CID 100762043
trans-(1R,3S)-N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 125060739
N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100744362
N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100746032
N-(2-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide
CID 100767273
N-(2-cyano-4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100767499
N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxycyclopentane-1-carboxamide
CID 100729496
N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100745430
N-[2-cyano-4-(2-methylpropoxy)phenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide
CID 100763191
N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2,2-dimethylpropanamide
CID 100751182
N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxycyclopentane-1-carboxamide
CID 100761838

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxycyclohexane-1-carboxamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxycyclohexane-1-carboxamide (CID 100762030) is N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxycyclohexane-1-carboxamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxycyclohexane-1-carboxamide is CCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2C#N)CCCCC1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxycyclohexane-1-carboxamide?
The InChIKey is DOFZDMDSFDJMJX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-4-15(3)25-17-9-10-18(16(13-17)14-21)22-19(23)20(24-5-2)11-7-6-8-12-20/h9-10,13,15H,4-8,11-12H2,1-3H3,(H,22,23)/t15-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxycyclohexane-1-carboxamide?
N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxycyclohexane-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxycyclohexane-1-carboxamide is sourced from PubChem (CID 100762030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).