N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide

C16H24N4O3 — CID 5406502

IUPACN-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCOc1ccc(/C=N\NC(=O)CN2CCN(C)CC2)c(OC)c1
InChIInChI=1S/C16H24N4O3/c1-19-6-8-20(9-7-19)12-16(21)18-17-11-13-4-5-14(22-2)10-15(13)23-3/h4-5,10-11H,6-9,12H2,1-3H3,(H,18,21)/b17-11-
InChIKeyBSKHMFAQDDYLPD-BOPFTXTBSA-N
MW320.39 g/mol
LogP0.40
Rot. Bonds6

About N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide

N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 5406502) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID5406502
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCOc1ccc(/C=N\NC(=O)CN2CCN(C)CC2)c(OC)c1
InChIInChI=1S/C16H24N4O3/c1-19-6-8-20(9-7-19)12-16(21)18-17-11-13-4-5-14(22-2)10-15(13)23-3/h4-5,10-11H,6-9,12H2,1-3H3,(H,18,21)/b17-11-
InChIKeyBSKHMFAQDDYLPD-BOPFTXTBSA-N
XLogP0.40
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.40
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-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
CID 788742
2-(azocan-1-yl)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 5338397
2-(azepan-1-yl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 5338398
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135777571
N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3959859
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 871407
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2353634
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethoxypropanamide
CID 43887205
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6866404
N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-prop-2-enylpropanediamide
CID 4132961
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5426268
N-[(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide
CID 1274174

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide (CID 5406502) is N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide is COc1ccc(/C=N\NC(=O)CN2CCN(C)CC2)c(OC)c1.
What is the InChIKey of N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is BSKHMFAQDDYLPD-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-19-6-8-20(9-7-19)12-16(21)18-17-11-13-4-5-14(22-2)10-15(13)23-3/h4-5,10-11H,6-9,12H2,1-3H3,(H,18,21)/b17-11-.
What are the key properties of N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide?
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 320.39 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 5406502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).