3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide

C21H26N2O5 — CID 9231843

IUPAC3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide
SMILESCOc1cc(C(=O)N/N=C(/C)c2ccc(OC(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C21H26N2O5/c1-13(2)28-17-9-7-15(8-10-17)14(3)22-23-21(24)16-11-18(25-4)20(27-6)19(12-16)26-5/h7-13H,1-6H3,(H,23,24)/b22-14-
InChIKeyRLDFSARLQVLXQG-HMAPJEAMSA-N
MW386.45 g/mol
LogP3.65
Rot. Bonds8

About 3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide

3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide (PubChem CID 9231843) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide
PubChem CID9231843
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide
SMILESCOc1cc(C(=O)N/N=C(/C)c2ccc(OC(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C21H26N2O5/c1-13(2)28-17-9-7-15(8-10-17)14(3)22-23-21(24)16-11-18(25-4)20(27-6)19(12-16)26-5/h7-13H,1-6H3,(H,23,24)/b22-14-
InChIKeyRLDFSARLQVLXQG-HMAPJEAMSA-N
XLogP3.65
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.65
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

3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6005452
N-[(Z)-1-phenylethylideneamino]-4-propan-2-yloxybenzamide
CID 9215513
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215396
3,4,5-trimethoxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154687
N-[1-(3-bromophenyl)ethylideneamino]-3,4,5-trimethoxybenzamide
CID 3496724
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3,4,5-trimethoxybenzamide
CID 6028855
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
CID 9359355
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215676
3,4,5-trimethoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide
CID 43911196
2-[3-[(Z)-C-methyl-N-[(3,4,5-trimethoxybenzoyl)amino]carbonimidoyl]phenoxy]acetic acid
CID 9231733
N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-4-propan-2-yloxybenzamide
CID 9215818
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-3,4,5-trimethoxybenzamide
CID 4047183

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide (CID 9231843) is 3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide is COc1cc(C(=O)N/N=C(/C)c2ccc(OC(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide?
The InChIKey is RLDFSARLQVLXQG-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-13(2)28-17-9-7-15(8-10-17)14(3)22-23-21(24)16-11-18(25-4)20(27-6)19(12-16)26-5/h7-13H,1-6H3,(H,23,24)/b22-14-.
What are the key properties of 3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide?
3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide has a molecular weight of 386.45 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 9231843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).