1-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

C18H20N2O2 — CID 51488466

IUPAC1-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESCOc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1
InChIInChI=1S/C18H20N2O2/c1-22-15-9-5-8-14(12-15)19-18(21)20-17-11-4-7-13-6-2-3-10-16(13)17/h4-5,7-9,11-12H,2-3,6,10H2,1H3,(H2,19,20,21)
InChIKeyDMFDYBRHFZZRRF-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.22
Rot. Bonds3

About 1-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

1-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (PubChem CID 51488466) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
PubChem CID51488466
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESCOc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1
InChIInChI=1S/C18H20N2O2/c1-22-15-9-5-8-14(12-15)19-18(21)20-17-11-4-7-13-6-2-3-10-16(13)17/h4-5,7-9,11-12H,2-3,6,10H2,1H3,(H2,19,20,21)
InChIKeyDMFDYBRHFZZRRF-UHFFFAOYSA-N
XLogP4.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 98000866
3-amino-N-[3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)phenyl]propanamide
CID 119321592
1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 43468950
1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea
CID 103480109
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)urea
CID 6469067
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 50777725
1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea
CID 99129467
methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate
CID 90481970
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
CID 4286151

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (CID 51488466) is 1-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is COc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The InChIKey is DMFDYBRHFZZRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-15-9-5-8-14(12-15)19-18(21)20-17-11-4-7-13-6-2-3-10-16(13)17/h4-5,7-9,11-12H,2-3,6,10H2,1H3,(H2,19,20,21).
What are the key properties of 1-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
1-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea has a molecular weight of 296.37 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 51488466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).