N-[2-(dimethylamino)ethyl]-3-(N'-hydroxycarbamimidoyl)-N-methylbenzamide

C13H20N4O2 — CID 77017462

IUPACN-[2-(dimethylamino)ethyl]-3-(N'-hydroxycarbamimidoyl)-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1cccc(C(N)=NO)c1
InChIInChI=1S/C13H20N4O2/c1-16(2)7-8-17(3)13(18)11-6-4-5-10(9-11)12(14)15-19/h4-6,9,19H,7-8H2,1-3H3,(H2,14,15)
InChIKeyIVHGDVYCBWRVSS-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.41
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-3-(N'-hydroxycarbamimidoyl)-N-methylbenzamide

N-[2-(dimethylamino)ethyl]-3-(N'-hydroxycarbamimidoyl)-N-methylbenzamide (PubChem CID 77017462) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(N'-hydroxycarbamimidoyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(N'-hydroxycarbamimidoyl)-N-methylbenzamide
PubChem CID77017462
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(N'-hydroxycarbamimidoyl)-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1cccc(C(N)=NO)c1
InChIInChI=1S/C13H20N4O2/c1-16(2)7-8-17(3)13(18)11-6-4-5-10(9-11)12(14)15-19/h4-6,9,19H,7-8H2,1-3H3,(H2,14,15)
InChIKeyIVHGDVYCBWRVSS-UHFFFAOYSA-N
XLogP0.41
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.41
H-Bond Donors ≤ 52
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-benzyl-3-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide
CID 43333102
N-ethyl-3-[(Z)-N'-hydroxycarbamimidoyl]-N-propylbenzamide
CID 43269064
3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695114
3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695423
3-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 43570523
3-(N'-hydroxycarbamimidoyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 76947355
3-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 76910215
1,1-diethyl-3-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-methylurea
CID 79161393
N-ethyl-3-(N'-hydroxycarbamimidoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 76904150
N-[[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-N,5-dimethylfuran-3-carboxamide
CID 114822675
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76932856
3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76979219

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(N'-hydroxycarbamimidoyl)-N-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(N'-hydroxycarbamimidoyl)-N-methylbenzamide (CID 77017462) is N-[2-(dimethylamino)ethyl]-3-(N'-hydroxycarbamimidoyl)-N-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(N'-hydroxycarbamimidoyl)-N-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(N'-hydroxycarbamimidoyl)-N-methylbenzamide is CN(C)CCN(C)C(=O)c1cccc(C(N)=NO)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(N'-hydroxycarbamimidoyl)-N-methylbenzamide?
The InChIKey is IVHGDVYCBWRVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-16(2)7-8-17(3)13(18)11-6-4-5-10(9-11)12(14)15-19/h4-6,9,19H,7-8H2,1-3H3,(H2,14,15).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(N'-hydroxycarbamimidoyl)-N-methylbenzamide?
N-[2-(dimethylamino)ethyl]-3-(N'-hydroxycarbamimidoyl)-N-methylbenzamide has a molecular weight of 264.33 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(N'-hydroxycarbamimidoyl)-N-methylbenzamide is sourced from PubChem (CID 77017462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).