N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

C21H24N2O3 — CID 90486783

IUPACN-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1cc(/C=N\NC(=O)Cc2cccc3c2CCCC3)cc(OC)c1
InChIInChI=1S/C21H24N2O3/c1-25-18-10-15(11-19(13-18)26-2)14-22-23-21(24)12-17-8-5-7-16-6-3-4-9-20(16)17/h5,7-8,10-11,13-14H,3-4,6,9,12H2,1-2H3,(H,23,24)/b22-14-
InChIKeyRIYJYBBNEIHESQ-HMAPJEAMSA-N
MW352.43 g/mol
LogP3.28
Rot. Bonds6

About N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 90486783) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
PubChem CID90486783
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1cc(/C=N\NC(=O)Cc2cccc3c2CCCC3)cc(OC)c1
InChIInChI=1S/C21H24N2O3/c1-25-18-10-15(11-19(13-18)26-2)14-22-23-21(24)12-17-8-5-7-16-6-3-4-9-20(16)17/h5,7-8,10-11,13-14H,3-4,6,9,12H2,1-2H3,(H,23,24)/b22-14-
InChIKeyRIYJYBBNEIHESQ-HMAPJEAMSA-N
XLogP3.28
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(Z)-[2-chloro-4-(methylamino)phenyl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 90486781
N,N'-bis[(E)-(3,5-dimethoxyphenyl)methylideneamino]-3-oxopentanediamide
CID 44621401
2-(2,4-dimethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 92657855
2-(4-aminophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 110515236
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4236788
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 135719851
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 135538036
N-[(4-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 136618840
N-[(E)-(3-methoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 6865820
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881635
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4843582
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5425302

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (CID 90486783) is N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is COc1cc(/C=N\NC(=O)Cc2cccc3c2CCCC3)cc(OC)c1.
What is the InChIKey of N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is RIYJYBBNEIHESQ-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-25-18-10-15(11-19(13-18)26-2)14-22-23-21(24)12-17-8-5-7-16-6-3-4-9-20(16)17/h5,7-8,10-11,13-14H,3-4,6,9,12H2,1-2H3,(H,23,24)/b22-14-.
What are the key properties of N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 352.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 90486783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).