N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-propyloxamide

C16H23N3O4 — CID 8989086

IUPACN'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-propyloxamide
SMILESCCCNC(=O)C(=O)N/N=C\c1ccc(OCCC)c(OC)c1
InChIInChI=1S/C16H23N3O4/c1-4-8-17-15(20)16(21)19-18-11-12-6-7-13(23-9-5-2)14(10-12)22-3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,20)(H,19,21)/b18-11-
InChIKeyDWUYSJJNXKMJHC-WQRHYEAKSA-N
MW321.38 g/mol
LogP1.46
Rot. Bonds8

About N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-propyloxamide

N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-propyloxamide (PubChem CID 8989086) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-propyloxamide.

Molecular Properties

Compound NameN'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-propyloxamide
PubChem CID8989086
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-propyloxamide
SMILESCCCNC(=O)C(=O)N/N=C\c1ccc(OCCC)c(OC)c1
InChIInChI=1S/C16H23N3O4/c1-4-8-17-15(20)16(21)19-18-11-12-6-7-13(23-9-5-2)14(10-12)22-3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,20)(H,19,21)/b18-11-
InChIKeyDWUYSJJNXKMJHC-WQRHYEAKSA-N
XLogP1.46
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 8989083
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-propyloxamide
CID 5363155
N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8989100
N'-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-propyloxamide
CID 8930740
N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 8989104
N-(4-ethylphenyl)-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 8989089
N'-[(Z)-(3-bromo-4-propoxyphenyl)methylideneamino]-N-(2-methoxyethyl)oxamide
CID 8988980
N'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 8989116
N-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]oxamide
CID 9352957
2-[2-ethoxy-4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8990059
methyl N-[(Z)-(4-butoxy-3-methoxyphenyl)methylideneamino]carbamate
CID 9075566
N'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8931811

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-propyloxamide?
The IUPAC name of N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-propyloxamide (CID 8989086) is N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-propyloxamide.
What is the SMILES notation for N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-propyloxamide?
The canonical SMILES for N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-propyloxamide is CCCNC(=O)C(=O)N/N=C\c1ccc(OCCC)c(OC)c1.
What is the InChIKey of N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-propyloxamide?
The InChIKey is DWUYSJJNXKMJHC-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-4-8-17-15(20)16(21)19-18-11-12-6-7-13(23-9-5-2)14(10-12)22-3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,20)(H,19,21)/b18-11-.
What are the key properties of N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-propyloxamide?
N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-propyloxamide has a molecular weight of 321.38 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-propyloxamide is sourced from PubChem (CID 8989086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).