N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-N-propan-2-yloxamide

C15H19F2N3O5 — CID 9352006

IUPACN'-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-N-propan-2-yloxamide
SMILESCOc1cc(/C=N\NC(=O)C(=O)NC(C)C)cc(OC)c1OC(F)F
InChIInChI=1S/C15H19F2N3O5/c1-8(2)19-13(21)14(22)20-18-7-9-5-10(23-3)12(25-15(16)17)11(6-9)24-4/h5-8,15H,1-4H3,(H,19,21)(H,20,22)/b18-7-
InChIKeyVJTUBWKOFQMYSS-WSVATBPTSA-N
MW359.33 g/mol
LogP1.28
Rot. Bonds7

About N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-N-propan-2-yloxamide

N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-N-propan-2-yloxamide (PubChem CID 9352006) has the molecular formula C15H19F2N3O5 and a molecular weight of 359.33 g/mol. Its IUPAC name is N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-N-propan-2-yloxamide
PubChem CID9352006
Molecular FormulaC15H19F2N3O5
Molecular Weight359.33 g/mol
Exact Mass359.13
IUPAC NameN'-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-N-propan-2-yloxamide
SMILESCOc1cc(/C=N\NC(=O)C(=O)NC(C)C)cc(OC)c1OC(F)F
InChIInChI=1S/C15H19F2N3O5/c1-8(2)19-13(21)14(22)20-18-7-9-5-10(23-3)12(25-15(16)17)11(6-9)24-4/h5-8,15H,1-4H3,(H,19,21)(H,20,22)/b18-7-
InChIKeyVJTUBWKOFQMYSS-WSVATBPTSA-N
XLogP1.28
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

ethyl N-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]carbamate
CID 9076015
2-[2-chloro-6-methoxy-4-[(Z)-[[2-oxo-2-(propan-2-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989905
N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N'-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxamide
CID 21214231
N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-N-propan-2-yloxamide
CID 135813833
N-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9316924
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 135646994
N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 8989358
N'-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352968
2-[2,6-dichloro-4-[(Z)-[[2-oxo-2-(propan-2-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8990106
N'-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 7658901
2-[4-[(Z)-[[2-[[(2S)-butan-2-yl]amino]-2-oxoacetyl]hydrazinylidene]methyl]-2-chloro-6-methoxyphenoxy]acetic acid
CID 8989926
1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]urea
CID 92856854

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-N-propan-2-yloxamide?
The IUPAC name of N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-N-propan-2-yloxamide (CID 9352006) is N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-N-propan-2-yloxamide is COc1cc(/C=N\NC(=O)C(=O)NC(C)C)cc(OC)c1OC(F)F.
What is the InChIKey of N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-N-propan-2-yloxamide?
The InChIKey is VJTUBWKOFQMYSS-WSVATBPTSA-N. The full InChI is InChI=1S/C15H19F2N3O5/c1-8(2)19-13(21)14(22)20-18-7-9-5-10(23-3)12(25-15(16)17)11(6-9)24-4/h5-8,15H,1-4H3,(H,19,21)(H,20,22)/b18-7-.
What are the key properties of N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-N-propan-2-yloxamide?
N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-N-propan-2-yloxamide has a molecular weight of 359.33 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-N-propan-2-yloxamide is sourced from PubChem (CID 9352006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).