2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methylpentan-3-yl)acetamide

C15H23N3O3 — CID 106330938

IUPAC2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CC)NC(=O)COc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C15H23N3O3/c1-4-15(3,5-2)17-13(19)10-21-12-8-6-11(7-9-12)14(16)18-20/h6-9,20H,4-5,10H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyIQDIURLRDFWKNY-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.85
Rot. Bonds7

About 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methylpentan-3-yl)acetamide

2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methylpentan-3-yl)acetamide (PubChem CID 106330938) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methylpentan-3-yl)acetamide
PubChem CID106330938
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CC)NC(=O)COc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C15H23N3O3/c1-4-15(3,5-2)17-13(19)10-21-12-8-6-11(7-9-12)14(16)18-20/h6-9,20H,4-5,10H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyIQDIURLRDFWKNY-UHFFFAOYSA-N
XLogP1.85
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

4-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methylpentan-3-yl)benzamide
CID 106330933
2-[[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]amino]ethyl carbamate
CID 83205911
2-(4-ethoxyphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945438
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-propan-2-yloxyethyl)acetamide
CID 104764609
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(oxan-4-yl)acetamide
CID 43610524
N'-hydroxy-4-[[4-(N'-hydroxycarbamimidoyl)phenoxy]methoxy]benzenecarboximidamide
CID 123536479
N'-hydroxy-4-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]methoxy]benzenecarboximidamide
CID 89475792
4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188257
2-[4-[(E)-N'-hydroxycarbamimidoyl]phenoxy]-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106405898
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
4-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide
CID 79679480

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methylpentan-3-yl)acetamide?
The IUPAC name of 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methylpentan-3-yl)acetamide (CID 106330938) is 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methylpentan-3-yl)acetamide.
What is the SMILES notation for 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methylpentan-3-yl)acetamide?
The canonical SMILES for 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methylpentan-3-yl)acetamide is CCC(C)(CC)NC(=O)COc1ccc(/C(N)=N/O)cc1.
What is the InChIKey of 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methylpentan-3-yl)acetamide?
The InChIKey is IQDIURLRDFWKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-15(3,5-2)17-13(19)10-21-12-8-6-11(7-9-12)14(16)18-20/h6-9,20H,4-5,10H2,1-3H3,(H2,16,18)(H,17,19).
What are the key properties of 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methylpentan-3-yl)acetamide?
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methylpentan-3-yl)acetamide has a molecular weight of 293.37 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methylpentan-3-yl)acetamide is sourced from PubChem (CID 106330938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).