N'-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]-N-propan-2-yloxamide

C15H21N3O3 — CID 9352050

IUPACN'-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]-N-propan-2-yloxamide
SMILESCOc1ccc(C)cc1/C(C)=N\NC(=O)C(=O)NC(C)C
InChIInChI=1S/C15H21N3O3/c1-9(2)16-14(19)15(20)18-17-11(4)12-8-10(3)6-7-13(12)21-5/h6-9H,1-5H3,(H,16,19)(H,18,20)/b17-11-
InChIKeyTZLQABABMODLRV-BOPFTXTBSA-N
MW291.35 g/mol
LogP1.37
Rot. Bonds4

About N'-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]-N-propan-2-yloxamide

N'-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]-N-propan-2-yloxamide (PubChem CID 9352050) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N'-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]-N-propan-2-yloxamide
PubChem CID9352050
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN'-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]-N-propan-2-yloxamide
SMILESCOc1ccc(C)cc1/C(C)=N\NC(=O)C(=O)NC(C)C
InChIInChI=1S/C15H21N3O3/c1-9(2)16-14(19)15(20)18-17-11(4)12-8-10(3)6-7-13(12)21-5/h6-9H,1-5H3,(H,16,19)(H,18,20)/b17-11-
InChIKeyTZLQABABMODLRV-BOPFTXTBSA-N
XLogP1.37
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide
CID 9351436
N'-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide
CID 135575852
2-[2-methoxy-5-[(Z)-C-methyl-N-[[2-oxo-2-(propan-2-ylamino)acetyl]amino]carbonimidoyl]phenyl]acetate
CID 9351645
(2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]propanamide
CID 9232605
N'-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide
CID 9351520
2-methoxy-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301929
N-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 3627864
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N-propan-2-ylpropanamide
CID 43504967
N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 74880473
N'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide
CID 9120782
methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
CID 135730431
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]acetamide
CID 8869317

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]-N-propan-2-yloxamide?
The IUPAC name of N'-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]-N-propan-2-yloxamide (CID 9352050) is N'-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]-N-propan-2-yloxamide is COc1ccc(C)cc1/C(C)=N\NC(=O)C(=O)NC(C)C.
What is the InChIKey of N'-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]-N-propan-2-yloxamide?
The InChIKey is TZLQABABMODLRV-BOPFTXTBSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9(2)16-14(19)15(20)18-17-11(4)12-8-10(3)6-7-13(12)21-5/h6-9H,1-5H3,(H,16,19)(H,18,20)/b17-11-.
What are the key properties of N'-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]-N-propan-2-yloxamide?
N'-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]-N-propan-2-yloxamide has a molecular weight of 291.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]-N-propan-2-yloxamide is sourced from PubChem (CID 9352050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).