2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methyl-N-(2-methylbutyl)acetamide

C15H23N3O3 — CID 43296221

IUPAC2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methyl-N-(2-methylbutyl)acetamide
SMILESCCC(C)CN(C)C(=O)COc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C15H23N3O3/c1-4-11(2)9-18(3)14(19)10-21-13-7-5-12(6-8-13)15(16)17-20/h5-8,11,20H,4,9-10H2,1-3H3,(H2,16,17)
InChIKeyZZDVZSQHZYLRBU-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.66
Rot. Bonds7

About 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methyl-N-(2-methylbutyl)acetamide

2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methyl-N-(2-methylbutyl)acetamide (PubChem CID 43296221) 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-methyl-N-(2-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methyl-N-(2-methylbutyl)acetamide
PubChem CID43296221
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methyl-N-(2-methylbutyl)acetamide
SMILESCCC(C)CN(C)C(=O)COc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C15H23N3O3/c1-4-11(2)9-18(3)14(19)10-21-13-7-5-12(6-8-13)15(16)17-20/h5-8,11,20H,4,9-10H2,1-3H3,(H2,16,17)
InChIKeyZZDVZSQHZYLRBU-UHFFFAOYSA-N
XLogP1.66
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
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

N-(3-amino-2-methylpropyl)-N-methyl-2-(4-methylphenoxy)acetamide
CID 115267653
4-[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 8566212
4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188257
N'-hydroxy-4-[2-[methyl(pentan-3-yl)amino]ethoxy]benzenecarboximidamide
CID 61301180
N-(2-hydroxypropyl)-2-(4-methoxyphenoxy)-N-methylacetamide
CID 62334405
4-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide
CID 79679480
4-[(2R)-butan-2-yl]oxy-N'-hydroxybenzenecarboximidamide
CID 156537629
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
3-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-2-methylpropanoic acid
CID 122111906
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methylpentan-3-yl)acetamide
CID 106330938
N-ethyl-5-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)pyridine-2-carboxamide
CID 79470697
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-propan-2-yloxyethyl)acetamide
CID 104764609

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methyl-N-(2-methylbutyl)acetamide?
The IUPAC name of 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methyl-N-(2-methylbutyl)acetamide (CID 43296221) is 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methyl-N-(2-methylbutyl)acetamide.
What is the SMILES notation for 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methyl-N-(2-methylbutyl)acetamide?
The canonical SMILES for 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methyl-N-(2-methylbutyl)acetamide is CCC(C)CN(C)C(=O)COc1ccc(/C(N)=N/O)cc1.
What is the InChIKey of 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methyl-N-(2-methylbutyl)acetamide?
The InChIKey is ZZDVZSQHZYLRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-11(2)9-18(3)14(19)10-21-13-7-5-12(6-8-13)15(16)17-20/h5-8,11,20H,4,9-10H2,1-3H3,(H2,16,17).
What are the key properties of 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methyl-N-(2-methylbutyl)acetamide?
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methyl-N-(2-methylbutyl)acetamide has a molecular weight of 293.37 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methyl-N-(2-methylbutyl)acetamide is sourced from PubChem (CID 43296221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).