1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-hexylurea

C22H32N2O2 — CID 23360895

IUPAC1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-hexylurea
SMILESCCCCCCNC(=O)NCCc1cc(CC)cc2ccc(OC)cc12
InChIInChI=1S/C22H32N2O2/c1-4-6-7-8-12-23-22(25)24-13-11-19-15-17(5-2)14-18-9-10-20(26-3)16-21(18)19/h9-10,14-16H,4-8,11-13H2,1-3H3,(H2,23,24,25)
InChIKeyVMBRLDJCPKPWFY-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.83
Rot. Bonds10

About 1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-hexylurea

1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-hexylurea (PubChem CID 23360895) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-hexylurea.

Molecular Properties

Compound Name1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-hexylurea
PubChem CID23360895
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-hexylurea
SMILESCCCCCCNC(=O)NCCc1cc(CC)cc2ccc(OC)cc12
InChIInChI=1S/C22H32N2O2/c1-4-6-7-8-12-23-22(25)24-13-11-19-15-17(5-2)14-18-9-10-20(26-3)16-21(18)19/h9-10,14-16H,4-8,11-13H2,1-3H3,(H2,23,24,25)
InChIKeyVMBRLDJCPKPWFY-UHFFFAOYSA-N
XLogP4.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-propylurea
CID 23360827
1-ethyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea
CID 23360900
1-cyclohexyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea
CID 23360949
1-[2-(4-methoxyphenyl)ethyl]-3-octadecylurea
CID 139817703
1-[2-[3-(cyclopropanecarbonyl)-7-methoxynaphthalen-1-yl]ethyl]-3-propylurea
CID 23360854
N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
CID 25167837
N-hexyl-2-(4-methoxyphenyl)acetamide
CID 3649296
1-dodecyl-3-(4-methoxyphenyl)urea
CID 172727415
N-[2-(3-benzyl-7-pentoxynaphthalen-1-yl)ethyl]acetamide
CID 23360915
N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 12985488
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
N-hexyl-4-methoxy(11C)benzamide
CID 177422178

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-hexylurea?
The IUPAC name of 1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-hexylurea (CID 23360895) is 1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-hexylurea.
What is the SMILES notation for 1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-hexylurea?
The canonical SMILES for 1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-hexylurea is CCCCCCNC(=O)NCCc1cc(CC)cc2ccc(OC)cc12.
What is the InChIKey of 1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-hexylurea?
The InChIKey is VMBRLDJCPKPWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-4-6-7-8-12-23-22(25)24-13-11-19-15-17(5-2)14-18-9-10-20(26-3)16-21(18)19/h9-10,14-16H,4-8,11-13H2,1-3H3,(H2,23,24,25).
What are the key properties of 1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-hexylurea?
1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-hexylurea has a molecular weight of 356.51 g/mol, XLogP of 4.83, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-hexylurea is sourced from PubChem (CID 23360895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).