N-acetyl-1-cyclohexyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexane-1-carboxamide

C28H37NO3 — CID 71227579

IUPACN-acetyl-1-cyclohexyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESCOc1ccc2cccc(CCN(C(C)=O)C(=O)C3(C4CCCCC4)CCCCC3)c2c1
InChIInChI=1S/C28H37NO3/c1-21(30)29(19-16-23-11-9-10-22-14-15-25(32-2)20-26(22)23)27(31)28(17-7-4-8-18-28)24-12-5-3-6-13-24/h9-11,14-15,20,24H,3-8,12-13,16-19H2,1-2H3
InChIKeyIVRSKURDXRGSEN-UHFFFAOYSA-N
MW435.61 g/mol
LogP6.30
Rot. Bonds6

About N-acetyl-1-cyclohexyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexane-1-carboxamide

N-acetyl-1-cyclohexyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 71227579) has the molecular formula C28H37NO3 and a molecular weight of 435.61 g/mol. Its IUPAC name is N-acetyl-1-cyclohexyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-acetyl-1-cyclohexyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID71227579
Molecular FormulaC28H37NO3
Molecular Weight435.61 g/mol
Exact Mass435.28
IUPAC NameN-acetyl-1-cyclohexyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESCOc1ccc2cccc(CCN(C(C)=O)C(=O)C3(C4CCCCC4)CCCCC3)c2c1
InChIInChI=1S/C28H37NO3/c1-21(30)29(19-16-23-11-9-10-22-14-15-25(32-2)20-26(22)23)27(31)28(17-7-4-8-18-28)24-12-5-3-6-13-24/h9-11,14-15,20,24H,3-8,12-13,16-19H2,1-2H3
InChIKeyIVRSKURDXRGSEN-UHFFFAOYSA-N
XLogP6.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.61
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-1-cyclohexyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of N-acetyl-1-cyclohexyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexane-1-carboxamide (CID 71227579) is N-acetyl-1-cyclohexyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-acetyl-1-cyclohexyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-acetyl-1-cyclohexyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexane-1-carboxamide is COc1ccc2cccc(CCN(C(C)=O)C(=O)C3(C4CCCCC4)CCCCC3)c2c1.
What is the InChIKey of N-acetyl-1-cyclohexyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is IVRSKURDXRGSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37NO3/c1-21(30)29(19-16-23-11-9-10-22-14-15-25(32-2)20-26(22)23)27(31)28(17-7-4-8-18-28)24-12-5-3-6-13-24/h9-11,14-15,20,24H,3-8,12-13,16-19H2,1-2H3.
What are the key properties of N-acetyl-1-cyclohexyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexane-1-carboxamide?
N-acetyl-1-cyclohexyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 435.61 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-1-cyclohexyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 71227579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).