1-cyclopropyl-3-[2-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]urea

C20H24N2O2 — CID 54238918

IUPAC1-cyclopropyl-3-[2-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]urea
SMILESC=CCc1c(OC)ccc2cccc(CCNC(=O)NC3CC3)c12
InChIInChI=1S/C20H24N2O2/c1-3-5-17-18(24-2)11-8-14-6-4-7-15(19(14)17)12-13-21-20(23)22-16-9-10-16/h3-4,6-8,11,16H,1,5,9-10,12-13H2,2H3,(H2,21,22,23)
InChIKeyQOOVNMDBVKEQAF-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.58
Rot. Bonds7

About 1-cyclopropyl-3-[2-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]urea

1-cyclopropyl-3-[2-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]urea (PubChem CID 54238918) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]urea
PubChem CID54238918
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-cyclopropyl-3-[2-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]urea
SMILESC=CCc1c(OC)ccc2cccc(CCNC(=O)NC3CC3)c12
InChIInChI=1S/C20H24N2O2/c1-3-5-17-18(24-2)11-8-14-6-4-7-15(19(14)17)12-13-21-20(23)22-16-9-10-16/h3-4,6-8,11,16H,1,5,9-10,12-13H2,2H3,(H2,21,22,23)
InChIKeyQOOVNMDBVKEQAF-UHFFFAOYSA-N
XLogP3.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)-N-methylbutanamide
CID 19696807
N-[2-(7-pentoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]acetamide
CID 22912537
N-[2-(8-ethyl-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 22912546
1-cyclopropyl-3-[2-(7-hydroxynaphthalen-1-yl)ethyl]urea
CID 22912562
1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea
CID 110775679
1-cyclopentyl-3-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]urea
CID 110775953
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 94017520
1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 47127459
1-butyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea
CID 22101298
1-ethyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea
CID 22101310
2-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 112994029
N-[2-[7-methoxy-8-(3-methoxyphenyl)naphthalen-1-yl]ethyl]acetamide
CID 22133292

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[2-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]urea (CID 54238918) is 1-cyclopropyl-3-[2-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]urea is C=CCc1c(OC)ccc2cccc(CCNC(=O)NC3CC3)c12.
What is the InChIKey of 1-cyclopropyl-3-[2-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]urea?
The InChIKey is QOOVNMDBVKEQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-5-17-18(24-2)11-8-14-6-4-7-15(19(14)17)12-13-21-20(23)22-16-9-10-16/h3-4,6-8,11,16H,1,5,9-10,12-13H2,2H3,(H2,21,22,23).
What are the key properties of 1-cyclopropyl-3-[2-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]urea?
1-cyclopropyl-3-[2-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]urea has a molecular weight of 324.42 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]urea is sourced from PubChem (CID 54238918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).