N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-methylphenyl)cyclohexane-1-carboxamide

C28H33NO2 — CID 100745808

IUPACN-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
SMILESCC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c2ccccc12
InChIInChI=1S/C28H33NO2/c1-4-21(3)31-26-17-16-25(23-10-6-7-11-24(23)26)29-27(30)28(18-8-5-9-19-28)22-14-12-20(2)13-15-22/h6-7,10-17,21H,4-5,8-9,18-19H2,1-3H3,(H,29,30)/t21-/m0/s1
InChIKeyNIGXNALXEIAFTE-NRFANRHFSA-N
MW415.58 g/mol
LogP7.17
Rot. Bonds6

About N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-methylphenyl)cyclohexane-1-carboxamide

N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 100745808) has the molecular formula C28H33NO2 and a molecular weight of 415.58 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
PubChem CID100745808
Molecular FormulaC28H33NO2
Molecular Weight415.58 g/mol
Exact Mass415.25
IUPAC NameN-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
SMILESCC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c2ccccc12
InChIInChI=1S/C28H33NO2/c1-4-21(3)31-26-17-16-25(23-10-6-7-11-24(23)26)29-27(30)28(18-8-5-9-19-28)22-14-12-20(2)13-15-22/h6-7,10-17,21H,4-5,8-9,18-19H2,1-3H3,(H,29,30)/t21-/m0/s1
InChIKeyNIGXNALXEIAFTE-NRFANRHFSA-N
XLogP7.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 100745217
N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxycyclopentane-1-carboxamide
CID 100761838
N-(4-butan-2-yloxynaphthalen-1-yl)-1-propoxycycloheptane-1-carboxamide
CID 133205425
1-(4-methoxyphenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclopentane-1-carboxamide
CID 100744434
N-[4-(2-methylpropoxy)naphthalen-1-yl]-1-phenylcyclopentane-1-carboxamide
CID 100719168
1-(4-methoxyphenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide
CID 100747706
methyl 2-[(2S)-butan-2-yl]oxy-5-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]benzoate
CID 100720246
1-(4-methylphenyl)-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclohexane-1-carboxamide
CID 100770996
N-(4-butan-2-yloxynaphthalen-1-yl)-1-ethoxy-4-methylcyclohexane-1-carboxamide
CID 133203978
1-(3-methylphenyl)-N-(4-propoxynaphthalen-1-yl)cyclopentane-1-carboxamide
CID 100720091
N-(4-butan-2-yloxy-3-methylphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 133187939
cis-(1R,3R)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100762964

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-methylphenyl)cyclohexane-1-carboxamide (CID 100745808) is N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-methylphenyl)cyclohexane-1-carboxamide is CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c2ccccc12.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is NIGXNALXEIAFTE-NRFANRHFSA-N. The full InChI is InChI=1S/C28H33NO2/c1-4-21(3)31-26-17-16-25(23-10-6-7-11-24(23)26)29-27(30)28(18-8-5-9-19-28)22-14-12-20(2)13-15-22/h6-7,10-17,21H,4-5,8-9,18-19H2,1-3H3,(H,29,30)/t21-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-methylphenyl)cyclohexane-1-carboxamide?
N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 415.58 g/mol, XLogP of 7.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100745808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).