2-[[2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]-methylamino]-N-methylacetamide

C13H18N4O4 — CID 43374370

IUPAC2-[[2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C(=O)COc1ccccc1/C(N)=N/O
InChIInChI=1S/C13H18N4O4/c1-15-11(18)7-17(2)12(19)8-21-10-6-4-3-5-9(10)13(14)16-20/h3-6,20H,7-8H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyHXASNLAKMOPKDO-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.64
Rot. Bonds6

About 2-[[2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]-methylamino]-N-methylacetamide

2-[[2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]-methylamino]-N-methylacetamide (PubChem CID 43374370) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[[2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]-methylamino]-N-methylacetamide
PubChem CID43374370
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name2-[[2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C(=O)COc1ccccc1/C(N)=N/O
InChIInChI=1S/C13H18N4O4/c1-15-11(18)7-17(2)12(19)8-21-10-6-4-3-5-9(10)13(14)16-20/h3-6,20H,7-8H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyHXASNLAKMOPKDO-UHFFFAOYSA-N
XLogP-0.64
TPSA117.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-ethyl-2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetamide
CID 43155983
2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 43332989
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
2-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide
CID 79679575
2-[2-(N'-hydroxycarbamimidoyl)phenoxy]-N-(2-methylcyclopropyl)acetamide
CID 76943356
2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methoxypropyl)acetamide
CID 43156183
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 55444223
2-[2-[(E)-N'-hydroxycarbamimidoyl]phenoxy]-N-piperidin-1-ylacetamide
CID 83018834
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate
CID 8847966
2-[[2-(2-ethoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 62051399
2-(2-carbamothioylphenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 63694903
2-[[2-(2-benzylphenoxy)acetyl]-methylamino]acetamide
CID 56813072

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]-methylamino]-N-methylacetamide (CID 43374370) is 2-[[2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)C(=O)COc1ccccc1/C(N)=N/O.
What is the InChIKey of 2-[[2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]-methylamino]-N-methylacetamide?
The InChIKey is HXASNLAKMOPKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-15-11(18)7-17(2)12(19)8-21-10-6-4-3-5-9(10)13(14)16-20/h3-6,20H,7-8H2,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of 2-[[2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]-methylamino]-N-methylacetamide?
2-[[2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]-methylamino]-N-methylacetamide has a molecular weight of 294.31 g/mol, XLogP of -0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 43374370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).