1-(4-methoxyphenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide

C28H33NO3 — CID 100747706

IUPAC1-(4-methoxyphenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ccccc34)CCCCC2)cc1
InChIInChI=1S/C28H33NO3/c1-20(2)19-32-26-16-15-25(23-9-5-6-10-24(23)26)29-27(30)28(17-7-4-8-18-28)21-11-13-22(31-3)14-12-21/h5-6,9-16,20H,4,7-8,17-19H2,1-3H3,(H,29,30)
InChIKeyNDQXFIYEYJFYCE-UHFFFAOYSA-N
MW431.58 g/mol
LogP6.72
Rot. Bonds7

About 1-(4-methoxyphenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide

1-(4-methoxyphenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide (PubChem CID 100747706) has the molecular formula C28H33NO3 and a molecular weight of 431.58 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide
PubChem CID100747706
Molecular FormulaC28H33NO3
Molecular Weight431.58 g/mol
Exact Mass431.25
IUPAC Name1-(4-methoxyphenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ccccc34)CCCCC2)cc1
InChIInChI=1S/C28H33NO3/c1-20(2)19-32-26-16-15-25(23-9-5-6-10-24(23)26)29-27(30)28(17-7-4-8-18-28)21-11-13-22(31-3)14-12-21/h5-6,9-16,20H,4,7-8,17-19H2,1-3H3,(H,29,30)
InChIKeyNDQXFIYEYJFYCE-UHFFFAOYSA-N
XLogP6.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methylpropoxy)naphthalen-1-yl]-1-phenylcyclopentane-1-carboxamide
CID 100719168
1-(4-methoxyphenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclopentane-1-carboxamide
CID 100744434
1-(4-chlorophenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopropane-1-carboxamide
CID 100782430
1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopentane-1-carboxamide
CID 100782956
N-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100750314
1-(4-methylphenyl)-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclohexane-1-carboxamide
CID 100770996
1-(4-methoxyphenyl)-N-(8-propan-2-yloxyquinolin-5-yl)cyclopentane-1-carboxamide
CID 100770449
N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100745808
N-(4-methoxynaphthalen-1-yl)-1-phenylcyclopropane-1-carboxamide
CID 100782309
N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 100745217
N-(8-methoxyquinolin-5-yl)-1-phenylcyclohexane-1-carboxamide
CID 100770558
5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-oxo-1,3-dioxane-5-carboxamide
CID 100778906

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide (CID 100747706) is 1-(4-methoxyphenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide is COc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ccccc34)CCCCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide?
The InChIKey is NDQXFIYEYJFYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO3/c1-20(2)19-32-26-16-15-25(23-9-5-6-10-24(23)26)29-27(30)28(17-7-4-8-18-28)21-11-13-22(31-3)14-12-21/h5-6,9-16,20H,4,7-8,17-19H2,1-3H3,(H,29,30).
What are the key properties of 1-(4-methoxyphenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide?
1-(4-methoxyphenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 6.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 100747706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).