2-hydroxyimino-N-methyl-2-[2-[(E)-1-(3-methylphenyl)ethoxyiminomethyl]phenyl]acetamide

C19H21N3O3 — CID 172981252

IUPAC2-hydroxyimino-N-methyl-2-[2-[(E)-1-(3-methylphenyl)ethoxyiminomethyl]phenyl]acetamide
SMILESCNC(=O)C(=NO)c1ccccc1/C=N/OC(C)c1cccc(C)c1
InChIInChI=1S/C19H21N3O3/c1-13-7-6-9-15(11-13)14(2)25-21-12-16-8-4-5-10-17(16)18(22-24)19(23)20-3/h4-12,14,24H,1-3H3,(H,20,23)/b21-12+,22-18?
InChIKeyUDELAYBMQAIZCN-YHOCKCFZSA-N
MW339.40 g/mol
LogP3.03
Rot. Bonds6

About 2-hydroxyimino-N-methyl-2-[2-[(E)-1-(3-methylphenyl)ethoxyiminomethyl]phenyl]acetamide

2-hydroxyimino-N-methyl-2-[2-[(E)-1-(3-methylphenyl)ethoxyiminomethyl]phenyl]acetamide (PubChem CID 172981252) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-hydroxyimino-N-methyl-2-[2-[(E)-1-(3-methylphenyl)ethoxyiminomethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-hydroxyimino-N-methyl-2-[2-[(E)-1-(3-methylphenyl)ethoxyiminomethyl]phenyl]acetamide
PubChem CID172981252
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-hydroxyimino-N-methyl-2-[2-[(E)-1-(3-methylphenyl)ethoxyiminomethyl]phenyl]acetamide
SMILESCNC(=O)C(=NO)c1ccccc1/C=N/OC(C)c1cccc(C)c1
InChIInChI=1S/C19H21N3O3/c1-13-7-6-9-15(11-13)14(2)25-21-12-16-8-4-5-10-17(16)18(22-24)19(23)20-3/h4-12,14,24H,1-3H3,(H,20,23)/b21-12+,22-18?
InChIKeyUDELAYBMQAIZCN-YHOCKCFZSA-N
XLogP3.03
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-methoxyimino-N-methyl-2-[2-[(Z)-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]iminomethyl]phenyl]acetamide
CID 101019202
(2E)-2-methoxyimino-N-methyl-2-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide
CID 21338870
1-(1-hydroperoxyethyl)-3-methylbenzene
CID 131858292
1-(3-methylphenyl)ethyl formate
CID 118679969
methyl 2-(2-methylanilino)-2-(3-methylphenyl)acetate
CID 60992633
2-methyl-3-(methylamino)-3-(3-methylphenyl)propanoic acid
CID 116953387
2-(3-methylphenyl)-2-(prop-2-ynylamino)acetic acid
CID 62352736
methyl 2-anilino-2-(3-methylphenyl)acetate
CID 54889768
(2E)-2-methoxyimino-N-methyl-2-[3-methyl-2-[[(E)-(3-methylphenyl)methylideneamino]oxymethyl]phenyl]acetamide
CID 162441232
(Z)-1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine
CID 9355492
2-chloro-N-methyl-2-(3-methylphenyl)acetamide
CID 62224564
2-[[(1R)-1-(3-methylphenyl)ethyl]carbamoyl]benzoic acid
CID 81369000

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-N-methyl-2-[2-[(E)-1-(3-methylphenyl)ethoxyiminomethyl]phenyl]acetamide?
The IUPAC name of 2-hydroxyimino-N-methyl-2-[2-[(E)-1-(3-methylphenyl)ethoxyiminomethyl]phenyl]acetamide (CID 172981252) is 2-hydroxyimino-N-methyl-2-[2-[(E)-1-(3-methylphenyl)ethoxyiminomethyl]phenyl]acetamide.
What is the SMILES notation for 2-hydroxyimino-N-methyl-2-[2-[(E)-1-(3-methylphenyl)ethoxyiminomethyl]phenyl]acetamide?
The canonical SMILES for 2-hydroxyimino-N-methyl-2-[2-[(E)-1-(3-methylphenyl)ethoxyiminomethyl]phenyl]acetamide is CNC(=O)C(=NO)c1ccccc1/C=N/OC(C)c1cccc(C)c1.
What is the InChIKey of 2-hydroxyimino-N-methyl-2-[2-[(E)-1-(3-methylphenyl)ethoxyiminomethyl]phenyl]acetamide?
The InChIKey is UDELAYBMQAIZCN-YHOCKCFZSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-7-6-9-15(11-13)14(2)25-21-12-16-8-4-5-10-17(16)18(22-24)19(23)20-3/h4-12,14,24H,1-3H3,(H,20,23)/b21-12+,22-18?.
What are the key properties of 2-hydroxyimino-N-methyl-2-[2-[(E)-1-(3-methylphenyl)ethoxyiminomethyl]phenyl]acetamide?
2-hydroxyimino-N-methyl-2-[2-[(E)-1-(3-methylphenyl)ethoxyiminomethyl]phenyl]acetamide has a molecular weight of 339.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-N-methyl-2-[2-[(E)-1-(3-methylphenyl)ethoxyiminomethyl]phenyl]acetamide is sourced from PubChem (CID 172981252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).