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

C19H26N2O2 — CID 23360827

IUPAC1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1cc(CC)cc2ccc(OC)cc12
InChIInChI=1S/C19H26N2O2/c1-4-9-20-19(22)21-10-8-16-12-14(5-2)11-15-6-7-17(23-3)13-18(15)16/h6-7,11-13H,4-5,8-10H2,1-3H3,(H2,20,21,22)
InChIKeyJBNLBQYIOXULMQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.66
Rot. Bonds7

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

1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-propylurea (PubChem CID 23360827) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-propylurea
PubChem CID23360827
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1cc(CC)cc2ccc(OC)cc12
InChIInChI=1S/C19H26N2O2/c1-4-9-20-19(22)21-10-8-16-12-14(5-2)11-15-6-7-17(23-3)13-18(15)16/h6-7,11-13H,4-5,8-10H2,1-3H3,(H2,20,21,22)
InChIKeyJBNLBQYIOXULMQ-UHFFFAOYSA-N
XLogP3.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea
CID 23360900
1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-hexylurea
CID 23360895
1-[2-[3-(cyclopropanecarbonyl)-7-methoxynaphthalen-1-yl]ethyl]-3-propylurea
CID 23360854
1-cyclohexyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea
CID 23360949
N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
CID 25167837
N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 12985488
1-[(4-methoxyphenyl)methyl]-3-propylurea
CID 41355184
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[2-[7-methoxy-3-[3-(methylamino)phenyl]naphthalen-1-yl]ethyl]acetamide
CID 44579115
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
1-[2-(4-methoxyphenyl)ethyl]-3-octadecylurea
CID 139817703

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-propylurea?
The IUPAC name of 1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-propylurea (CID 23360827) is 1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-propylurea.
What is the SMILES notation for 1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-propylurea?
The canonical SMILES for 1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-propylurea is CCCNC(=O)NCCc1cc(CC)cc2ccc(OC)cc12.
What is the InChIKey of 1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-propylurea?
The InChIKey is JBNLBQYIOXULMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-4-9-20-19(22)21-10-8-16-12-14(5-2)11-15-6-7-17(23-3)13-18(15)16/h6-7,11-13H,4-5,8-10H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-propylurea?
1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-propylurea has a molecular weight of 314.43 g/mol, XLogP of 3.66, 7 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-propylurea is sourced from PubChem (CID 23360827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).