N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-methylbutoxy)benzamide

C21H24N2O5 — CID 9215886

IUPACN-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(OCCC(C)C)cc2)cc2c1OCO2
InChIInChI=1S/C21H24N2O5/c1-14(2)8-9-26-17-6-4-16(5-7-17)21(24)23-22-12-15-10-18(25-3)20-19(11-15)27-13-28-20/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,23,24)/b22-12-
InChIKeyBLUDJZRMYRNNMV-UUYOSTAYSA-N
MW384.43 g/mol
LogP3.61
Rot. Bonds8

About N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-methylbutoxy)benzamide

N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-methylbutoxy)benzamide (PubChem CID 9215886) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-methylbutoxy)benzamide
PubChem CID9215886
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC NameN-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(OCCC(C)C)cc2)cc2c1OCO2
InChIInChI=1S/C21H24N2O5/c1-14(2)8-9-26-17-6-4-16(5-7-17)21(24)23-22-12-15-10-18(25-3)20-19(11-15)27-13-28-20/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,23,24)/b22-12-
InChIKeyBLUDJZRMYRNNMV-UUYOSTAYSA-N
XLogP3.61
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.61
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'}

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Related Compounds

4-(3-methylbutoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 4927366
4-hydroxy-N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 9072987
3,4-dimethoxy-N-[(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 6733172
4-chloro-N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 9060259
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 6390033
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 8979784
4-hydroxy-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzamide
CID 9072934
3,4-dimethoxy-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzamide
CID 9232627
4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4927373
N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927381
4-(diethylamino)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide
CID 2329144
4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 4927427

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-methylbutoxy)benzamide (CID 9215886) is N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-methylbutoxy)benzamide is COc1cc(/C=N\NC(=O)c2ccc(OCCC(C)C)cc2)cc2c1OCO2.
What is the InChIKey of N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-methylbutoxy)benzamide?
The InChIKey is BLUDJZRMYRNNMV-UUYOSTAYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-14(2)8-9-26-17-6-4-16(5-7-17)21(24)23-22-12-15-10-18(25-3)20-19(11-15)27-13-28-20/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,23,24)/b22-12-.
What are the key properties of N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-methylbutoxy)benzamide?
N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-methylbutoxy)benzamide has a molecular weight of 384.43 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 9215886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).