2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-propan-2-yloxyethyl)acetamide

C14H21N3O4 — CID 104764609

IUPAC2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-propan-2-yloxyethyl)acetamide
SMILESCC(C)OCCNC(=O)COc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C14H21N3O4/c1-10(2)20-8-7-16-13(18)9-21-12-5-3-11(4-6-12)14(15)17-19/h3-6,10,19H,7-9H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyMKTZBLMSJSAXGW-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.70
Rot. Bonds8

About 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-propan-2-yloxyethyl)acetamide

2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-propan-2-yloxyethyl)acetamide (PubChem CID 104764609) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-propan-2-yloxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-propan-2-yloxyethyl)acetamide
PubChem CID104764609
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-propan-2-yloxyethyl)acetamide
SMILESCC(C)OCCNC(=O)COc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C14H21N3O4/c1-10(2)20-8-7-16-13(18)9-21-12-5-3-11(4-6-12)14(15)17-19/h3-6,10,19H,7-9H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyMKTZBLMSJSAXGW-UHFFFAOYSA-N
XLogP0.70
TPSA106.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.70
H-Bond Donors ≤ 53
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': '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

2-[[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]amino]ethyl carbamate
CID 83205911
2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide
CID 104758382
[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 18272291
2-[4-[(E)-N'-hydroxycarbamimidoyl]phenoxy]-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106405898
2-[2-[4-(N'-hydroxycarbamimidoyl)phenoxy]ethylamino]-N-propan-2-ylacetamide
CID 77030062
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methylpentan-3-yl)acetamide
CID 106330938
3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide
CID 104758179
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(2-methoxyethyl)acetamide
CID 77001315
N'-hydroxy-4-[2-(3-methylbutylamino)ethoxy]benzenecarboximidamide
CID 77025462
3-[2-oxo-2-(3-propan-2-yloxypropylamino)ethoxy]benzoic acid
CID 43214917
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
N'-hydroxy-4-[2-(1-methoxypropan-2-yloxy)ethoxy]benzenecarboximidamide
CID 77015867

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-propan-2-yloxyethyl)acetamide?
The IUPAC name of 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-propan-2-yloxyethyl)acetamide (CID 104764609) is 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-propan-2-yloxyethyl)acetamide.
What is the SMILES notation for 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-propan-2-yloxyethyl)acetamide?
The canonical SMILES for 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-propan-2-yloxyethyl)acetamide is CC(C)OCCNC(=O)COc1ccc(/C(N)=N/O)cc1.
What is the InChIKey of 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-propan-2-yloxyethyl)acetamide?
The InChIKey is MKTZBLMSJSAXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-10(2)20-8-7-16-13(18)9-21-12-5-3-11(4-6-12)14(15)17-19/h3-6,10,19H,7-9H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-propan-2-yloxyethyl)acetamide?
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-propan-2-yloxyethyl)acetamide has a molecular weight of 295.34 g/mol, XLogP of 0.70, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-propan-2-yloxyethyl)acetamide is sourced from PubChem (CID 104764609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).