N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide

C24H28N2O3 — CID 100744362

IUPACN-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c(C#N)c1
InChIInChI=1S/C24H28N2O3/c1-4-17(2)29-21-11-12-22(18(15-21)16-25)26-23(27)24(13-5-6-14-24)19-7-9-20(28-3)10-8-19/h7-12,15,17H,4-6,13-14H2,1-3H3,(H,26,27)/t17-/m1/s1
InChIKeyBYTCFMYMJUMFSF-QGZVFWFLSA-N
MW392.50 g/mol
LogP5.19
Rot. Bonds7

About N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide

N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 100744362) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
PubChem CID100744362
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c(C#N)c1
InChIInChI=1S/C24H28N2O3/c1-4-17(2)29-21-11-12-22(18(15-21)16-25)26-23(27)24(13-5-6-14-24)19-7-9-20(28-3)10-8-19/h7-12,15,17H,4-6,13-14H2,1-3H3,(H,26,27)/t17-/m1/s1
InChIKeyBYTCFMYMJUMFSF-QGZVFWFLSA-N
XLogP5.19
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide with MolForge

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Related Compounds

N-(4-butoxy-2-cyanophenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100744352
N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100745430
N-(2-cyano-4-propoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 100747593
N-(2-cyano-4-methoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100721529
N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100746032
N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxycyclohexane-1-carboxamide
CID 100762030
1-(4-chlorophenyl)-N-(2-cyano-4-ethoxyphenyl)cyclohexane-1-carboxamide
CID 100746676
N-(4-butoxy-2-cyanophenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100750267
N-(4-butan-2-yloxy-3-methylphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 133187939
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-ethoxy-4-methylcyclohexane-1-carboxamide
CID 100763184
N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2-methoxy-2-methylpropanamide
CID 100752326

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide (CID 100744362) is N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide is CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c(C#N)c1.
What is the InChIKey of N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is BYTCFMYMJUMFSF-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-4-17(2)29-21-11-12-22(18(15-21)16-25)26-23(27)24(13-5-6-14-24)19-7-9-20(28-3)10-8-19/h7-12,15,17H,4-6,13-14H2,1-3H3,(H,26,27)/t17-/m1/s1.
What are the key properties of N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100744362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).