5-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide

C18H22BrNO2 — CID 19021866

IUPAC5-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide
SMILESCOc1ccc2cccc(CCNC(=O)CCCCBr)c2c1
InChIInChI=1S/C18H22BrNO2/c1-22-16-9-8-14-5-4-6-15(17(14)13-16)10-12-20-18(21)7-2-3-11-19/h4-6,8-9,13H,2-3,7,10-12H2,1H3,(H,20,21)
InChIKeySCNJJASLDKLDJM-UHFFFAOYSA-N
MW364.28 g/mol
LogP4.07
Rot. Bonds8

About 5-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide

5-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide (PubChem CID 19021866) has the molecular formula C18H22BrNO2 and a molecular weight of 364.28 g/mol. Its IUPAC name is 5-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide
PubChem CID19021866
Molecular FormulaC18H22BrNO2
Molecular Weight364.28 g/mol
Exact Mass363.08
IUPAC Name5-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide
SMILESCOc1ccc2cccc(CCNC(=O)CCCCBr)c2c1
InChIInChI=1S/C18H22BrNO2/c1-22-16-9-8-14-5-4-6-15(17(14)13-16)10-12-20-18(21)7-2-3-11-19/h4-6,8-9,13H,2-3,7,10-12H2,1H3,(H,20,21)
InChIKeySCNJJASLDKLDJM-UHFFFAOYSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284
N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
CID 10220759
5-(7-methoxynaphthalen-1-yl)pentanamide
CID 67627444
3-(7-methoxynaphthalen-1-yl)-N-(2-methylpropyl)propanamide
CID 19696840
N-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylpiperazine-1-carboxamide
CID 90670904
2-(7-methoxynaphthalen-1-yl)-N-methylethanamine
CID 10104723
2-[8-[2-(butanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid
CID 18783026
1-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-methylthiourea
CID 19385775
N-[2-(7-methoxynaphthalen-1-yl)ethyl]furan-2-carboxamide
CID 44581533

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide?
The IUPAC name of 5-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide (CID 19021866) is 5-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide?
The canonical SMILES for 5-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide is COc1ccc2cccc(CCNC(=O)CCCCBr)c2c1.
What is the InChIKey of 5-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide?
The InChIKey is SCNJJASLDKLDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO2/c1-22-16-9-8-14-5-4-6-15(17(14)13-16)10-12-20-18(21)7-2-3-11-19/h4-6,8-9,13H,2-3,7,10-12H2,1H3,(H,20,21).
What are the key properties of 5-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide?
5-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide has a molecular weight of 364.28 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide is sourced from PubChem (CID 19021866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).