N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide

C14H19N3O3 — CID 46741715

IUPACN'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide
SMILESCOc1ccccc1/C=N/NC(=O)C(=O)NCC(C)C
InChIInChI=1S/C14H19N3O3/c1-10(2)8-15-13(18)14(19)17-16-9-11-6-4-5-7-12(11)20-3/h4-7,9-10H,8H2,1-3H3,(H,15,18)(H,17,19)/b16-9+
InChIKeySREJWPFKQNQBJI-CXUHLZMHSA-N
MW277.32 g/mol
LogP0.92
Rot. Bonds5

About N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide

N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide (PubChem CID 46741715) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide
PubChem CID46741715
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide
SMILESCOc1ccccc1/C=N/NC(=O)C(=O)NCC(C)C
InChIInChI=1S/C14H19N3O3/c1-10(2)8-15-13(18)14(19)17-16-9-11-6-4-5-7-12(11)20-3/h4-7,9-10H,8H2,1-3H3,(H,15,18)(H,17,19)/b16-9+
InChIKeySREJWPFKQNQBJI-CXUHLZMHSA-N
XLogP0.92
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.92
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)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 8930390
N-(2-methylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
CID 46741717
N'-[(Z)-[2-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 126175058
N-[(4-chlorophenyl)methyl]-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 5073412
N-(2-methoxyphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 2250526
N,N'-bis[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxamide
CID 5334919
N'-[(Z)-[2-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 126168554
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide
CID 135814046
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 135827951
N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 136802239
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 3105356
2-[2-methoxy-4-[(Z)-[[2-(2-methylpropylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8989984

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide (CID 46741715) is N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide is COc1ccccc1/C=N/NC(=O)C(=O)NCC(C)C.
What is the InChIKey of N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide?
The InChIKey is SREJWPFKQNQBJI-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10(2)8-15-13(18)14(19)17-16-9-11-6-4-5-7-12(11)20-3/h4-7,9-10H,8H2,1-3H3,(H,15,18)(H,17,19)/b16-9+.
What are the key properties of N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide?
N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide has a molecular weight of 277.32 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 46741715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).