2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methoxypropyl)acetamide

C15H22N2O4 — CID 77003568

IUPAC2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1cc(C)ccc1C(C)=NO
InChIInChI=1S/C15H22N2O4/c1-11-5-6-13(12(2)17-19)14(9-11)21-10-15(18)16-7-4-8-20-3/h5-6,9,19H,4,7-8,10H2,1-3H3,(H,16,18)
InChIKeyNTRAJTFBNFBXKJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.72
Rot. Bonds8

About 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methoxypropyl)acetamide

2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methoxypropyl)acetamide (PubChem CID 77003568) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methoxypropyl)acetamide
PubChem CID77003568
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1cc(C)ccc1C(C)=NO
InChIInChI=1S/C15H22N2O4/c1-11-5-6-13(12(2)17-19)14(9-11)21-10-15(18)16-7-4-8-20-3/h5-6,9,19H,4,7-8,10H2,1-3H3,(H,16,18)
InChIKeyNTRAJTFBNFBXKJ-UHFFFAOYSA-N
XLogP1.72
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid
CID 45293171
2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 60701029
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 77003672
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-methylphenoxy]-N-propan-2-ylacetamide
CID 55245922
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-3-ylacetamide
CID 77003482
2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029702
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-2-ylacetamide
CID 77003598
2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methoxypropyl)acetamide
CID 43156183
2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233348
2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60626030
N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112991225
2-(4-acetyl-2-methylphenoxy)-N-(3-methoxypropyl)acetamide
CID 115610415

Frequently Asked Questions

What is the IUPAC name of 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methoxypropyl)acetamide (CID 77003568) is 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)COc1cc(C)ccc1C(C)=NO.
What is the InChIKey of 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methoxypropyl)acetamide?
The InChIKey is NTRAJTFBNFBXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11-5-6-13(12(2)17-19)14(9-11)21-10-15(18)16-7-4-8-20-3/h5-6,9,19H,4,7-8,10H2,1-3H3,(H,16,18).
What are the key properties of 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methoxypropyl)acetamide?
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methoxypropyl)acetamide has a molecular weight of 294.35 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 77003568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).