N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-4-propan-2-yloxybenzamide

C21H26N2O4 — CID 9215818

IUPACN-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-4-propan-2-yloxybenzamide
SMILESCOc1ccc(C/C(C)=N\NC(=O)c2ccc(OC(C)C)cc2)cc1OC
InChIInChI=1S/C21H26N2O4/c1-14(2)27-18-9-7-17(8-10-18)21(24)23-22-15(3)12-16-6-11-19(25-4)20(13-16)26-5/h6-11,13-14H,12H2,1-5H3,(H,23,24)/b22-15-
InChIKeyMDESXDBSRYZKFF-JCMHNJIXSA-N
MW370.45 g/mol
LogP3.84
Rot. Bonds8

About N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-4-propan-2-yloxybenzamide

N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-4-propan-2-yloxybenzamide (PubChem CID 9215818) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-4-propan-2-yloxybenzamide
PubChem CID9215818
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-4-propan-2-yloxybenzamide
SMILESCOc1ccc(C/C(C)=N\NC(=O)c2ccc(OC(C)C)cc2)cc1OC
InChIInChI=1S/C21H26N2O4/c1-14(2)27-18-9-7-17(8-10-18)21(24)23-22-15(3)12-16-6-11-19(25-4)20(13-16)26-5/h6-11,13-14H,12H2,1-5H3,(H,23,24)/b22-15-
InChIKeyMDESXDBSRYZKFF-JCMHNJIXSA-N
XLogP3.84
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3,5-dimethoxybenzamide
CID 9461207
4-methoxy-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 9359348
[1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]urea
CID 2732243
3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide
CID 9231843
3,4-dimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide
CID 5146609
3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6311607
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
CID 6180657
4-methoxy-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 40551611
3,4-dimethoxy-N-[(Z)-[4-(4-methoxyanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 6035808
2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]acetamide
CID 9316814
N-[(Z)-1-phenylethylideneamino]-4-propan-2-yloxybenzamide
CID 9215513
3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
CID 9232703

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-4-propan-2-yloxybenzamide (CID 9215818) is N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-4-propan-2-yloxybenzamide is COc1ccc(C/C(C)=N\NC(=O)c2ccc(OC(C)C)cc2)cc1OC.
What is the InChIKey of N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-4-propan-2-yloxybenzamide?
The InChIKey is MDESXDBSRYZKFF-JCMHNJIXSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14(2)27-18-9-7-17(8-10-18)21(24)23-22-15(3)12-16-6-11-19(25-4)20(13-16)26-5/h6-11,13-14H,12H2,1-5H3,(H,23,24)/b22-15-.
What are the key properties of N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-4-propan-2-yloxybenzamide?
N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-4-propan-2-yloxybenzamide has a molecular weight of 370.45 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 9215818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).