[(E)-[(4R)-6-methoxy-4-methyl-4-phenyl-2,3-dihydronaphthalen-1-ylidene]amino]urea

C19H21N3O2 — CID 92856454

IUPAC[(E)-[(4R)-6-methoxy-4-methyl-4-phenyl-2,3-dihydronaphthalen-1-ylidene]amino]urea
SMILESCOc1ccc2c(c1)[C@@](C)(c1ccccc1)CC/C2=N\NC(N)=O
InChIInChI=1S/C19H21N3O2/c1-19(13-6-4-3-5-7-13)11-10-17(21-22-18(20)23)15-9-8-14(24-2)12-16(15)19/h3-9,12H,10-11H2,1-2H3,(H3,20,22,23)/b21-17+/t19-/m1/s1
InChIKeyVIVJIWYZBZUTOD-OXMAITBSSA-N
MW323.40 g/mol
LogP3.17
Rot. Bonds3

About [(E)-[(4R)-6-methoxy-4-methyl-4-phenyl-2,3-dihydronaphthalen-1-ylidene]amino]urea

[(E)-[(4R)-6-methoxy-4-methyl-4-phenyl-2,3-dihydronaphthalen-1-ylidene]amino]urea (PubChem CID 92856454) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is [(E)-[(4R)-6-methoxy-4-methyl-4-phenyl-2,3-dihydronaphthalen-1-ylidene]amino]urea.

Molecular Properties

Compound Name[(E)-[(4R)-6-methoxy-4-methyl-4-phenyl-2,3-dihydronaphthalen-1-ylidene]amino]urea
PubChem CID92856454
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name[(E)-[(4R)-6-methoxy-4-methyl-4-phenyl-2,3-dihydronaphthalen-1-ylidene]amino]urea
SMILESCOc1ccc2c(c1)[C@@](C)(c1ccccc1)CC/C2=N\NC(N)=O
InChIInChI=1S/C19H21N3O2/c1-19(13-6-4-3-5-7-13)11-10-17(21-22-18(20)23)15-9-8-14(24-2)12-16(15)19/h3-9,12H,10-11H2,1-2H3,(H3,20,22,23)/b21-17+/t19-/m1/s1
InChIKeyVIVJIWYZBZUTOD-OXMAITBSSA-N
XLogP3.17
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]thiourea
CID 5910205
[(E)-[4-(2,3-dimethylphenoxy)phenyl]methylideneamino]urea
CID 10564920
[(E)-(4-naphthalen-2-yloxyphenyl)methylideneamino]urea
CID 10686004
[(E)-[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]urea
CID 10802917
(1E)-1-(6-methoxy-2-naphthyl)propan-1-one thiosemicarbazone
CID 10989825
[(Z)-1-[4-(4-methylphenoxy)phenyl]ethylideneamino]urea
CID 44351927
[(Z)-1-(4-phenoxyphenyl)propylideneamino]urea
CID 44352088
[(E)-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]thiourea
CID 71602930
[(Z)-2,3-dihydrobenzo[f]chromen-1-ylideneamino]urea
CID 5714193
[(Z)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
CID 5714262
[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
CID 5910208
1,3-bis[(E)-[(E)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-ylidene]amino]urea
CID 6477429

Frequently Asked Questions

What is the IUPAC name of [(E)-[(4R)-6-methoxy-4-methyl-4-phenyl-2,3-dihydronaphthalen-1-ylidene]amino]urea?
The IUPAC name of [(E)-[(4R)-6-methoxy-4-methyl-4-phenyl-2,3-dihydronaphthalen-1-ylidene]amino]urea (CID 92856454) is [(E)-[(4R)-6-methoxy-4-methyl-4-phenyl-2,3-dihydronaphthalen-1-ylidene]amino]urea.
What is the SMILES notation for [(E)-[(4R)-6-methoxy-4-methyl-4-phenyl-2,3-dihydronaphthalen-1-ylidene]amino]urea?
The canonical SMILES for [(E)-[(4R)-6-methoxy-4-methyl-4-phenyl-2,3-dihydronaphthalen-1-ylidene]amino]urea is COc1ccc2c(c1)[C@@](C)(c1ccccc1)CC/C2=N\NC(N)=O.
What is the InChIKey of [(E)-[(4R)-6-methoxy-4-methyl-4-phenyl-2,3-dihydronaphthalen-1-ylidene]amino]urea?
The InChIKey is VIVJIWYZBZUTOD-OXMAITBSSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-19(13-6-4-3-5-7-13)11-10-17(21-22-18(20)23)15-9-8-14(24-2)12-16(15)19/h3-9,12H,10-11H2,1-2H3,(H3,20,22,23)/b21-17+/t19-/m1/s1.
What are the key properties of [(E)-[(4R)-6-methoxy-4-methyl-4-phenyl-2,3-dihydronaphthalen-1-ylidene]amino]urea?
[(E)-[(4R)-6-methoxy-4-methyl-4-phenyl-2,3-dihydronaphthalen-1-ylidene]amino]urea has a molecular weight of 323.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(4R)-6-methoxy-4-methyl-4-phenyl-2,3-dihydronaphthalen-1-ylidene]amino]urea is sourced from PubChem (CID 92856454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).