2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide

C16H24N2O3 — CID 76905153

IUPAC2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCCC(=NO)c1ccccc1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C16H24N2O3/c1-5-14(18-20)13-8-6-7-9-15(13)21-10-16(19)17-12(4)11(2)3/h6-9,11-12,20H,5,10H2,1-4H3,(H,17,19)
InChIKeyXAPAVDVRMTUVHJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.81
Rot. Bonds7

About 2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide

2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 76905153) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
PubChem CID76905153
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCCC(=NO)c1ccccc1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C16H24N2O3/c1-5-14(18-20)13-8-6-7-9-15(13)21-10-16(19)17-12(4)11(2)3/h6-9,11-12,20H,5,10H2,1-4H3,(H,17,19)
InChIKeyXAPAVDVRMTUVHJ-UHFFFAOYSA-N
XLogP2.81
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-pentan-2-ylacetamide
CID 76905167
N-tert-butyl-2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]acetamide
CID 24689546
2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 43131454
N-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide
CID 78767914
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-N,N-dimethylacetamide
CID 24704040
2-(2-iodophenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 43075465
2-[2-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 60773074
N-cyclopentyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 87021771
2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489531
N-[(2S)-3-methylbutan-2-yl]-2-(2-phenylphenoxy)acetamide
CID 8923326
(NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine
CID 43823257

Frequently Asked Questions

What is the IUPAC name of 2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide (CID 76905153) is 2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide is CCC(=NO)c1ccccc1OCC(=O)NC(C)C(C)C.
What is the InChIKey of 2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is XAPAVDVRMTUVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-14(18-20)13-8-6-7-9-15(13)21-10-16(19)17-12(4)11(2)3/h6-9,11-12,20H,5,10H2,1-4H3,(H,17,19).
What are the key properties of 2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide?
2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 292.38 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 76905153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).