N-(5-amino-5-oxopentyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide

C13H18N4O3 — CID 106240158

IUPACN-(5-amino-5-oxopentyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESNC(=O)CCCCNC(=O)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C13H18N4O3/c14-11(18)3-1-2-8-16-13(19)10-6-4-9(5-7-10)12(15)17-20/h4-7,20H,1-3,8H2,(H2,14,18)(H2,15,17)(H,16,19)
InChIKeyBELKUZMLJKSUGI-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.17
Rot. Bonds7

About N-(5-amino-5-oxopentyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide

N-(5-amino-5-oxopentyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide (PubChem CID 106240158) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(5-amino-5-oxopentyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide.

Molecular Properties

Compound NameN-(5-amino-5-oxopentyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
PubChem CID106240158
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-(5-amino-5-oxopentyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESNC(=O)CCCCNC(=O)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C13H18N4O3/c14-11(18)3-1-2-8-16-13(19)10-6-4-9(5-7-10)12(15)17-20/h4-7,20H,1-3,8H2,(H2,14,18)(H2,15,17)(H,16,19)
InChIKeyBELKUZMLJKSUGI-UHFFFAOYSA-N
XLogP0.17
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

4-[(E)-N'-hydroxycarbamimidoyl]-N-(5,5,5-trifluoropentyl)benzamide
CID 115521654
4-(N'-hydroxycarbamimidoyl)-N-(3-methylsulfonylpropyl)benzamide
CID 76930247
N-(2-acetamidoethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43553032
4-(N'-hydroxycarbamimidoyl)-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 76927606
N-(4-amino-4-oxobutyl)-4-carbamothioylbenzamide
CID 60863237
N-(5-amino-5-oxopentyl)-4-(propylamino)benzamide
CID 106241045
N-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide
CID 62237082
N-[2-[ethyl(methyl)amino]ethyl]-4-(N'-hydroxycarbamimidoyl)benzamide
CID 76947328
7-[(4-carbamoylbenzoyl)amino]heptanoic acid
CID 43358997
6-amino-N-(5-amino-5-oxopentyl)pyridine-3-carboxamide
CID 114162800
4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide
CID 106233185
N-(4-amino-4-hydroxyiminobutyl)-4-methylbenzamide
CID 76947565

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-oxopentyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The IUPAC name of N-(5-amino-5-oxopentyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide (CID 106240158) is N-(5-amino-5-oxopentyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide.
What is the SMILES notation for N-(5-amino-5-oxopentyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The canonical SMILES for N-(5-amino-5-oxopentyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide is NC(=O)CCCCNC(=O)c1ccc(/C(N)=N/O)cc1.
What is the InChIKey of N-(5-amino-5-oxopentyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The InChIKey is BELKUZMLJKSUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c14-11(18)3-1-2-8-16-13(19)10-6-4-9(5-7-10)12(15)17-20/h4-7,20H,1-3,8H2,(H2,14,18)(H2,15,17)(H,16,19).
What are the key properties of N-(5-amino-5-oxopentyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
N-(5-amino-5-oxopentyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide has a molecular weight of 278.31 g/mol, XLogP of 0.17, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-oxopentyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide is sourced from PubChem (CID 106240158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).