N-[2-[3-(cyclohexylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide

C22H29NO2 — CID 57382212

IUPACN-[2-[3-(cyclohexylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
SMILESCOc1ccc2cc(CC3CCCCC3)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C22H29NO2/c1-16(24)23-11-10-20-14-18(12-17-6-4-3-5-7-17)13-19-8-9-21(25-2)15-22(19)20/h8-9,13-15,17H,3-7,10-12H2,1-2H3,(H,23,24)
InChIKeyPIEFBYKEXGVEKO-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.65
Rot. Bonds6

About N-[2-[3-(cyclohexylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide

N-[2-[3-(cyclohexylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide (PubChem CID 57382212) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[2-[3-(cyclohexylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(cyclohexylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
PubChem CID57382212
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC NameN-[2-[3-(cyclohexylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
SMILESCOc1ccc2cc(CC3CCCCC3)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C22H29NO2/c1-16(24)23-11-10-20-14-18(12-17-6-4-3-5-7-17)13-19-8-9-21(25-2)15-22(19)20/h8-9,13-15,17H,3-7,10-12H2,1-2H3,(H,23,24)
InChIKeyPIEFBYKEXGVEKO-UHFFFAOYSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(cyclohexylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-(cyclohexylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide (CID 57382212) is N-[2-[3-(cyclohexylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-(cyclohexylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-(cyclohexylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide is COc1ccc2cc(CC3CCCCC3)cc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-[3-(cyclohexylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The InChIKey is PIEFBYKEXGVEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-16(24)23-11-10-20-14-18(12-17-6-4-3-5-7-17)13-19-8-9-21(25-2)15-22(19)20/h8-9,13-15,17H,3-7,10-12H2,1-2H3,(H,23,24).
What are the key properties of N-[2-[3-(cyclohexylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide?
N-[2-[3-(cyclohexylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide has a molecular weight of 339.48 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(cyclohexylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide is sourced from PubChem (CID 57382212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).