tert-butyl N-[(Z)-[2-(3,5-dimethoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]carbamate

C24H28N2O5 — CID 10693617

IUPACtert-butyl N-[(Z)-[2-(3,5-dimethoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]carbamate
SMILESCOc1cc(OC)cc(C(=O)C2CCc3ccccc3/C2=N\NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C24H28N2O5/c1-24(2,3)31-23(28)26-25-21-19-9-7-6-8-15(19)10-11-20(21)22(27)16-12-17(29-4)14-18(13-16)30-5/h6-9,12-14,20H,10-11H2,1-5H3,(H,26,28)/b25-21+
InChIKeyHQYBLGGLNMYIPJ-NJNXFGOHSA-N
MW424.50 g/mol
LogP4.38
Rot. Bonds5

About tert-butyl N-[(Z)-[2-(3,5-dimethoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]carbamate

tert-butyl N-[(Z)-[2-(3,5-dimethoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]carbamate (PubChem CID 10693617) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is tert-butyl N-[(Z)-[2-(3,5-dimethoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-[2-(3,5-dimethoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]carbamate
PubChem CID10693617
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Nametert-butyl N-[(Z)-[2-(3,5-dimethoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]carbamate
SMILESCOc1cc(OC)cc(C(=O)C2CCc3ccccc3/C2=N\NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C24H28N2O5/c1-24(2,3)31-23(28)26-25-21-19-9-7-6-8-15(19)10-11-20(21)22(27)16-12-17(29-4)14-18(13-16)30-5/h6-9,12-14,20H,10-11H2,1-5H3,(H,26,28)/b25-21+
InChIKeyHQYBLGGLNMYIPJ-NJNXFGOHSA-N
XLogP4.38
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(Z)-[2-(3,5-dimethoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]carbamate with MolForge

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Related Compounds

tert-butyl N-[(4-methylcyclohexylidene)amino]carbamate
CID 3505257
3,5-dimethoxy-N-[(4-phenylcyclohexylidene)amino]benzamide
CID 9461102
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 22182075
tert-butyl N-[(Z)-2,3-dihydrochromen-4-ylideneamino]carbamate
CID 8972503
2-benzoyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 79235413
tert-butyl N-[1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propyl]carbamate
CID 104856537
2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone
CID 12045348
(NE)-N-[2-(4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 10659475
benzyl (5E)-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]piperidine-1-carboxylate
CID 90119625
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]carbamate
CID 134960024
tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane
CID 91059787

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-[2-(3,5-dimethoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]carbamate?
The IUPAC name of tert-butyl N-[(Z)-[2-(3,5-dimethoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]carbamate (CID 10693617) is tert-butyl N-[(Z)-[2-(3,5-dimethoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-[2-(3,5-dimethoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-[2-(3,5-dimethoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]carbamate is COc1cc(OC)cc(C(=O)C2CCc3ccccc3/C2=N\NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[(Z)-[2-(3,5-dimethoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]carbamate?
The InChIKey is HQYBLGGLNMYIPJ-NJNXFGOHSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-24(2,3)31-23(28)26-25-21-19-9-7-6-8-15(19)10-11-20(21)22(27)16-12-17(29-4)14-18(13-16)30-5/h6-9,12-14,20H,10-11H2,1-5H3,(H,26,28)/b25-21+.
What are the key properties of tert-butyl N-[(Z)-[2-(3,5-dimethoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]carbamate?
tert-butyl N-[(Z)-[2-(3,5-dimethoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]carbamate has a molecular weight of 424.50 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-[2-(3,5-dimethoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]carbamate is sourced from PubChem (CID 10693617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).