(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)urea;formic acid

C14H20N2O5 — CID 158989698

IUPAC(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)urea;formic acid
SMILESCOc1ccc(OC)c2c1CCC(NC(N)=O)C2.O=CO
InChIInChI=1S/C13H18N2O3.CH2O2/c1-17-11-5-6-12(18-2)10-7-8(15-13(14)16)3-4-9(10)11;2-1-3/h5-6,8H,3-4,7H2,1-2H3,(H3,14,15,16);1H,(H,2,3)
InChIKeyJPZUVXSVDUQHFU-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.93
Rot. Bonds3

About (5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)urea;formic acid

(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)urea;formic acid (PubChem CID 158989698) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is (5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)urea;formic acid.

Molecular Properties

Compound Name(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)urea;formic acid
PubChem CID158989698
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)urea;formic acid
SMILESCOc1ccc(OC)c2c1CCC(NC(N)=O)C2.O=CO
InChIInChI=1S/C13H18N2O3.CH2O2/c1-17-11-5-6-12(18-2)10-7-8(15-13(14)16)3-4-9(10)11;2-1-3/h5-6,8H,3-4,7H2,1-2H3,(H3,14,15,16);1H,(H,2,3)
InChIKeyJPZUVXSVDUQHFU-UHFFFAOYSA-N
XLogP0.93
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-8-methoxy-5-nitro-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
CID 129405272
5,8-dimethoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 14023938
N-ethyl-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12924823
2,2,2-trifluoro-N-(8-methoxy-5-sulfamoyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 76585456
5-methoxy-N,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 22082782
5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 5073341
1-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)ethanone
CID 86124271
N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 67469984
6-(2-ethylhydrazinyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine
CID 54481468
N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)formamide
CID 18976441
N-[5,8-dimethoxy-1-(2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
CID 57203626
4-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
CID 135008237

Frequently Asked Questions

What is the IUPAC name of (5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)urea;formic acid?
The IUPAC name of (5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)urea;formic acid (CID 158989698) is (5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)urea;formic acid.
What is the SMILES notation for (5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)urea;formic acid?
The canonical SMILES for (5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)urea;formic acid is COc1ccc(OC)c2c1CCC(NC(N)=O)C2.O=CO.
What is the InChIKey of (5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)urea;formic acid?
The InChIKey is JPZUVXSVDUQHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3.CH2O2/c1-17-11-5-6-12(18-2)10-7-8(15-13(14)16)3-4-9(10)11;2-1-3/h5-6,8H,3-4,7H2,1-2H3,(H3,14,15,16);1H,(H,2,3).
What are the key properties of (5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)urea;formic acid?
(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)urea;formic acid has a molecular weight of 296.32 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)urea;formic acid is sourced from PubChem (CID 158989698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).