N-[2-[ethyl(methyl)amino]ethyl]-4-(N'-hydroxycarbamimidoyl)benzamide

C13H20N4O2 — CID 76947328

IUPACN-[2-[ethyl(methyl)amino]ethyl]-4-(N'-hydroxycarbamimidoyl)benzamide
SMILESCCN(C)CCNC(=O)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C13H20N4O2/c1-3-17(2)9-8-15-13(18)11-6-4-10(5-7-11)12(14)16-19/h4-7,19H,3,8-9H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyKOBTUOFWRBBJED-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.46
Rot. Bonds6

About N-[2-[ethyl(methyl)amino]ethyl]-4-(N'-hydroxycarbamimidoyl)benzamide

N-[2-[ethyl(methyl)amino]ethyl]-4-(N'-hydroxycarbamimidoyl)benzamide (PubChem CID 76947328) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]ethyl]-4-(N'-hydroxycarbamimidoyl)benzamide.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]ethyl]-4-(N'-hydroxycarbamimidoyl)benzamide
PubChem CID76947328
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[2-[ethyl(methyl)amino]ethyl]-4-(N'-hydroxycarbamimidoyl)benzamide
SMILESCCN(C)CCNC(=O)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C13H20N4O2/c1-3-17(2)9-8-15-13(18)11-6-4-10(5-7-11)12(14)16-19/h4-7,19H,3,8-9H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyKOBTUOFWRBBJED-UHFFFAOYSA-N
XLogP0.46
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.46
H-Bond Donors ≤ 53
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-(2-acetamidoethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43553032
4-(N'-hydroxycarbamimidoyl)-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 76927606
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-hydroxybenzamide
CID 107075159
N-(5-amino-5-oxopentyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106240158
3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 140914054
3-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 55097987
4-(N'-hydroxycarbamimidoyl)-N-(3-methylsulfonylpropyl)benzamide
CID 76930247
3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide
CID 62634789
2-(4-carbamothioylphenyl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 63613701
4-[[ethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 43263456
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 77001262
3-(N'-hydroxycarbamimidoyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 76947355

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-4-(N'-hydroxycarbamimidoyl)benzamide?
The IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-4-(N'-hydroxycarbamimidoyl)benzamide (CID 76947328) is N-[2-[ethyl(methyl)amino]ethyl]-4-(N'-hydroxycarbamimidoyl)benzamide.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]ethyl]-4-(N'-hydroxycarbamimidoyl)benzamide?
The canonical SMILES for N-[2-[ethyl(methyl)amino]ethyl]-4-(N'-hydroxycarbamimidoyl)benzamide is CCN(C)CCNC(=O)c1ccc(C(N)=NO)cc1.
What is the InChIKey of N-[2-[ethyl(methyl)amino]ethyl]-4-(N'-hydroxycarbamimidoyl)benzamide?
The InChIKey is KOBTUOFWRBBJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-17(2)9-8-15-13(18)11-6-4-10(5-7-11)12(14)16-19/h4-7,19H,3,8-9H2,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of N-[2-[ethyl(methyl)amino]ethyl]-4-(N'-hydroxycarbamimidoyl)benzamide?
N-[2-[ethyl(methyl)amino]ethyl]-4-(N'-hydroxycarbamimidoyl)benzamide has a molecular weight of 264.33 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]ethyl]-4-(N'-hydroxycarbamimidoyl)benzamide is sourced from PubChem (CID 76947328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).