N-[2-(3-benzyl-7-pentoxynaphthalen-1-yl)ethyl]acetamide

C26H31NO2 — CID 23360915

IUPACN-[2-(3-benzyl-7-pentoxynaphthalen-1-yl)ethyl]acetamide
SMILESCCCCCOc1ccc2cc(Cc3ccccc3)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C26H31NO2/c1-3-4-8-15-29-25-12-11-23-17-22(16-21-9-6-5-7-10-21)18-24(26(23)19-25)13-14-27-20(2)28/h5-7,9-12,17-19H,3-4,8,13-16H2,1-2H3,(H,27,28)
InChIKeyGNRLTBCONMFLGY-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.68
Rot. Bonds10

About N-[2-(3-benzyl-7-pentoxynaphthalen-1-yl)ethyl]acetamide

N-[2-(3-benzyl-7-pentoxynaphthalen-1-yl)ethyl]acetamide (PubChem CID 23360915) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[2-(3-benzyl-7-pentoxynaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-benzyl-7-pentoxynaphthalen-1-yl)ethyl]acetamide
PubChem CID23360915
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC NameN-[2-(3-benzyl-7-pentoxynaphthalen-1-yl)ethyl]acetamide
SMILESCCCCCOc1ccc2cc(Cc3ccccc3)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C26H31NO2/c1-3-4-8-15-29-25-12-11-23-17-22(16-21-9-6-5-7-10-21)18-24(26(23)19-25)13-14-27-20(2)28/h5-7,9-12,17-19H,3-4,8,13-16H2,1-2H3,(H,27,28)
InChIKeyGNRLTBCONMFLGY-UHFFFAOYSA-N
XLogP5.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide
CID 90888260
N-[2-(7-propoxynaphthalen-1-yl)ethyl]acetamide
CID 10061753
2-(7-pentoxynaphthalen-1-yl)acetic acid
CID 19086042
N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
CID 25167837
N-[2-(3-benzoyl-7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide
CID 23360831
N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide
CID 46888491
2-(7-butoxynaphthalen-1-yl)acetic acid
CID 19085996
1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-hexylurea
CID 23360895
N-(5-naphthalen-2-yloxypentyl)acetamide
CID 175828319
N-[2-(7-hexylnaphthalen-1-yl)ethyl]acetamide
CID 140972151
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 12985488

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-benzyl-7-pentoxynaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(3-benzyl-7-pentoxynaphthalen-1-yl)ethyl]acetamide (CID 23360915) is N-[2-(3-benzyl-7-pentoxynaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-benzyl-7-pentoxynaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(3-benzyl-7-pentoxynaphthalen-1-yl)ethyl]acetamide is CCCCCOc1ccc2cc(Cc3ccccc3)cc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(3-benzyl-7-pentoxynaphthalen-1-yl)ethyl]acetamide?
The InChIKey is GNRLTBCONMFLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO2/c1-3-4-8-15-29-25-12-11-23-17-22(16-21-9-6-5-7-10-21)18-24(26(23)19-25)13-14-27-20(2)28/h5-7,9-12,17-19H,3-4,8,13-16H2,1-2H3,(H,27,28).
What are the key properties of N-[2-(3-benzyl-7-pentoxynaphthalen-1-yl)ethyl]acetamide?
N-[2-(3-benzyl-7-pentoxynaphthalen-1-yl)ethyl]acetamide has a molecular weight of 389.54 g/mol, XLogP of 5.68, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-benzyl-7-pentoxynaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 23360915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).