N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexanecarboxamide

C20H25NO2 — CID 3071655

IUPACN-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexanecarboxamide
SMILESCOc1ccc2cccc(CCNC(=O)C3CCCCC3)c2c1
InChIInChI=1S/C20H25NO2/c1-23-18-11-10-15-8-5-9-16(19(15)14-18)12-13-21-20(22)17-6-3-2-4-7-17/h5,8-11,14,17H,2-4,6-7,12-13H2,1H3,(H,21,22)
InChIKeyFYENMWPCFFHHCA-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.09
Rot. Bonds5

About N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexanecarboxamide

N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexanecarboxamide (PubChem CID 3071655) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexanecarboxamide
PubChem CID3071655
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexanecarboxamide
SMILESCOc1ccc2cccc(CCNC(=O)C3CCCCC3)c2c1
InChIInChI=1S/C20H25NO2/c1-23-18-11-10-15-8-5-9-16(19(15)14-18)12-13-21-20(22)17-6-3-2-4-7-17/h5,8-11,14,17H,2-4,6-7,12-13H2,1H3,(H,21,22)
InChIKeyFYENMWPCFFHHCA-UHFFFAOYSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Agomelatine
CID 82148
N-[2-[7-[3-[8-(2-acetamidoethyl)naphthalen-2-yl]oxypropoxy]naphthalen-1-yl]ethyl]acetamide
CID 9870523
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071631
Butanamide, 4-chloro-N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071634
2-Pyrrolidinone, 1-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071635
Acetamide, 2-bromo-N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071636
Butanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071652
Acetyl-DL-phenylalanine beta-naphthyl ester
CID 98192
(Hydroxymethylphenyl)agomelatine
CID 9798456
N-[2-[7-[4-[8-(2-acetamidoethyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]acetamide
CID 9806449
N-[(6-Methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide
CID 11185529
N-[2-(2-Methoxy-1-naphthyl)ethyl]trifluoroacetamide
CID 11779359

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexanecarboxamide (CID 3071655) is N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexanecarboxamide is COc1ccc2cccc(CCNC(=O)C3CCCCC3)c2c1.
What is the InChIKey of N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is FYENMWPCFFHHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-23-18-11-10-15-8-5-9-16(19(15)14-18)12-13-21-20(22)17-6-3-2-4-7-17/h5,8-11,14,17H,2-4,6-7,12-13H2,1H3,(H,21,22).
What are the key properties of N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexanecarboxamide?
N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 311.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 3071655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).