N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3,5-dimethoxybenzamide

C20H24N2O5 — CID 9461207

IUPACN-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C(/C)Cc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H24N2O5/c1-13(8-14-6-7-18(26-4)19(9-14)27-5)21-22-20(23)15-10-16(24-2)12-17(11-15)25-3/h6-7,9-12H,8H2,1-5H3,(H,22,23)/b21-13-
InChIKeyJSSUCQGZGNKDIQ-BKUYFWCQSA-N
MW372.42 g/mol
LogP3.07
Rot. Bonds8

About N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3,5-dimethoxybenzamide

N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3,5-dimethoxybenzamide (PubChem CID 9461207) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3,5-dimethoxybenzamide
PubChem CID9461207
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC NameN-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C(/C)Cc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H24N2O5/c1-13(8-14-6-7-18(26-4)19(9-14)27-5)21-22-20(23)15-10-16(24-2)12-17(11-15)25-3/h6-7,9-12H,8H2,1-5H3,(H,22,23)/b21-13-
InChIKeyJSSUCQGZGNKDIQ-BKUYFWCQSA-N
XLogP3.07
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.07
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

N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-4-propan-2-yloxybenzamide
CID 9215818
[1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]urea
CID 2732243
4-methoxy-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 9359348
2-[4-[(Z)-N-[(3,5-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid
CID 9460657
3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6311607
3-iodo-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 3923844
1-(3,5-dimethoxyphenyl)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenyl]ethane-1,2-dione
CID 172869778
2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]acetamide
CID 9316814
3,4-dimethoxy-N-[(Z)-[4-(4-methoxyanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 6035808
N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 9316065
N-[(Z)-[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
CID 6381242
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]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3,5-dimethoxybenzamide (CID 9461207) is N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N/N=C(/C)Cc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3,5-dimethoxybenzamide?
The InChIKey is JSSUCQGZGNKDIQ-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-13(8-14-6-7-18(26-4)19(9-14)27-5)21-22-20(23)15-10-16(24-2)12-17(11-15)25-3/h6-7,9-12H,8H2,1-5H3,(H,22,23)/b21-13-.
What are the key properties of N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3,5-dimethoxybenzamide?
N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3,5-dimethoxybenzamide has a molecular weight of 372.42 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3,5-dimethoxybenzamide is sourced from PubChem (CID 9461207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).