N-[2-(2-amino-2-oxoethoxy)ethyl]-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide

C13H18N4O4 — CID 106240241

IUPACN-[2-(2-amino-2-oxoethoxy)ethyl]-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
SMILESNC(=O)COCCNC(=O)Cc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C13H18N4O4/c14-11(18)8-21-6-5-16-12(19)7-9-1-3-10(4-2-9)13(15)17-20/h1-4,20H,5-8H2,(H2,14,18)(H2,15,17)(H,16,19)
InChIKeyDUAVDMJRGYHHBG-UHFFFAOYSA-N
MW294.31 g/mol
LogP-1.06
Rot. Bonds8

About N-[2-(2-amino-2-oxoethoxy)ethyl]-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide

N-[2-(2-amino-2-oxoethoxy)ethyl]-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide (PubChem CID 106240241) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethoxy)ethyl]-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethoxy)ethyl]-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
PubChem CID106240241
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC NameN-[2-(2-amino-2-oxoethoxy)ethyl]-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
SMILESNC(=O)COCCNC(=O)Cc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C13H18N4O4/c14-11(18)8-21-6-5-16-12(19)7-9-1-3-10(4-2-9)13(15)17-20/h1-4,20H,5-8H2,(H2,14,18)(H2,15,17)(H,16,19)
InChIKeyDUAVDMJRGYHHBG-UHFFFAOYSA-N
XLogP-1.06
TPSA140.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
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-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(2-methoxyethyl)acetamide
CID 77001315
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(4-cyanophenyl)acetamide
CID 103819854
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 77001262
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-[2-(methylsulfamoyl)ethyl]acetamide
CID 106341715
2-[[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]amino]ethyl carbamate
CID 83205911
5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]furan-2-carboxylic acid
CID 114162732
4-(N'-hydroxycarbamimidoyl)-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 76927606
N-(3,3-dimethylbutan-2-yl)-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
CID 104829523
3-[[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetyl]amino]-3-methylbutanamide
CID 106098109
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-propan-2-yloxyethyl)acetamide
CID 104764609
2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]acetamide
CID 103767893
2-[2-[2-[[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 167492377

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide?
The IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide (CID 106240241) is N-[2-(2-amino-2-oxoethoxy)ethyl]-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide is NC(=O)COCCNC(=O)Cc1ccc(/C(N)=N/O)cc1.
What is the InChIKey of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide?
The InChIKey is DUAVDMJRGYHHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c14-11(18)8-21-6-5-16-12(19)7-9-1-3-10(4-2-9)13(15)17-20/h1-4,20H,5-8H2,(H2,14,18)(H2,15,17)(H,16,19).
What are the key properties of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide?
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide has a molecular weight of 294.31 g/mol, XLogP of -1.06, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide is sourced from PubChem (CID 106240241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).