(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-4-(4-propan-2-yloxyphenyl)but-3-yn-2-ylideneamino]oxymethyl]phenyl]acetamide

C24H27N3O4 — CID 162385278

IUPAC(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-4-(4-propan-2-yloxyphenyl)but-3-yn-2-ylideneamino]oxymethyl]phenyl]acetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1CO/N=C(\C)C#Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C24H27N3O4/c1-17(2)31-21-14-12-19(13-15-21)11-10-18(3)26-30-16-20-8-6-7-9-22(20)23(27-29-5)24(28)25-4/h6-9,12-15,17H,16H2,1-5H3,(H,25,28)/b26-18+,27-23+
InChIKeyPBWGKBMYISTLDZ-JFNQZVQLSA-N
MW421.50 g/mol
LogP3.51
Rot. Bonds8

About (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-4-(4-propan-2-yloxyphenyl)but-3-yn-2-ylideneamino]oxymethyl]phenyl]acetamide

(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-4-(4-propan-2-yloxyphenyl)but-3-yn-2-ylideneamino]oxymethyl]phenyl]acetamide (PubChem CID 162385278) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-4-(4-propan-2-yloxyphenyl)but-3-yn-2-ylideneamino]oxymethyl]phenyl]acetamide.

Molecular Properties

Compound Name(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-4-(4-propan-2-yloxyphenyl)but-3-yn-2-ylideneamino]oxymethyl]phenyl]acetamide
PubChem CID162385278
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-4-(4-propan-2-yloxyphenyl)but-3-yn-2-ylideneamino]oxymethyl]phenyl]acetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1CO/N=C(\C)C#Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C24H27N3O4/c1-17(2)31-21-14-12-19(13-15-21)11-10-18(3)26-30-16-20-8-6-7-9-22(20)23(27-29-5)24(28)25-4/h6-9,12-15,17H,16H2,1-5H3,(H,25,28)/b26-18+,27-23+
InChIKeyPBWGKBMYISTLDZ-JFNQZVQLSA-N
XLogP3.51
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-methoxyimino-N-methyl-2-[2-[(4-propan-2-yloxyphenoxy)methyl]phenyl]acetamide
CID 22419100
(2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide
CID 22847652
methyl (2E)-2-[2-[[(E)-4-(4-cyclopropyloxyphenyl)but-3-yn-2-ylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 162385288
(2E)-2-methoxyimino-N-methyl-2-[2-[(4-prop-2-ynoxyphenoxy)methyl]phenyl]acetamide
CID 22419093
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide
CID 157024287
2-methoxyimino-2-[2-[[(3-methoxyimino-4-phenylbutan-2-ylidene)amino]oxymethyl]phenyl]-N-methylacetamide
CID 72611267
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-[4-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
CID 156812657
(2Z)-2-(2-ethylphenyl)-2-methoxyimino-N-methylacetamide
CID 22886048
(2E)-2-[2-[[(E)-4-(3-hydroxyphenyl)but-3-yn-2-ylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide
CID 166885244
(2E)-2-[2-[[(E)-4-(2-chlorophenyl)but-3-yn-2-ylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide
CID 162385319
2-[2-[[[1-(4-ethoxy-2-methylphenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 54525341
(2E)-2-[2-[[(E)-1-(3-chlorophenyl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 156812660

Frequently Asked Questions

What is the IUPAC name of (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-4-(4-propan-2-yloxyphenyl)but-3-yn-2-ylideneamino]oxymethyl]phenyl]acetamide?
The IUPAC name of (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-4-(4-propan-2-yloxyphenyl)but-3-yn-2-ylideneamino]oxymethyl]phenyl]acetamide (CID 162385278) is (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-4-(4-propan-2-yloxyphenyl)but-3-yn-2-ylideneamino]oxymethyl]phenyl]acetamide.
What is the SMILES notation for (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-4-(4-propan-2-yloxyphenyl)but-3-yn-2-ylideneamino]oxymethyl]phenyl]acetamide?
The canonical SMILES for (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-4-(4-propan-2-yloxyphenyl)but-3-yn-2-ylideneamino]oxymethyl]phenyl]acetamide is CNC(=O)/C(=N/OC)c1ccccc1CO/N=C(\C)C#Cc1ccc(OC(C)C)cc1.
What is the InChIKey of (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-4-(4-propan-2-yloxyphenyl)but-3-yn-2-ylideneamino]oxymethyl]phenyl]acetamide?
The InChIKey is PBWGKBMYISTLDZ-JFNQZVQLSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-17(2)31-21-14-12-19(13-15-21)11-10-18(3)26-30-16-20-8-6-7-9-22(20)23(27-29-5)24(28)25-4/h6-9,12-15,17H,16H2,1-5H3,(H,25,28)/b26-18+,27-23+.
What are the key properties of (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-4-(4-propan-2-yloxyphenyl)but-3-yn-2-ylideneamino]oxymethyl]phenyl]acetamide?
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-4-(4-propan-2-yloxyphenyl)but-3-yn-2-ylideneamino]oxymethyl]phenyl]acetamide has a molecular weight of 421.50 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-4-(4-propan-2-yloxyphenyl)but-3-yn-2-ylideneamino]oxymethyl]phenyl]acetamide is sourced from PubChem (CID 162385278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).