N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide

C14H20N4O3 — CID 106279641

IUPACN-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1cccc(/C(N)=N/O)c1
InChIInChI=1S/C14H20N4O3/c1-14(2,13(20)16-3)8-17-12(19)10-6-4-5-9(7-10)11(15)18-21/h4-7,21H,8H2,1-3H3,(H2,15,18)(H,16,20)(H,17,19)
InChIKeyCZNKNTUYJHAZRO-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.28
Rot. Bonds5

About N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide

N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide (PubChem CID 106279641) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
PubChem CID106279641
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1cccc(/C(N)=N/O)c1
InChIInChI=1S/C14H20N4O3/c1-14(2,13(20)16-3)8-17-12(19)10-6-4-5-9(7-10)11(15)18-21/h4-7,21H,8H2,1-3H3,(H2,15,18)(H,16,20)(H,17,19)
InChIKeyCZNKNTUYJHAZRO-UHFFFAOYSA-N
XLogP0.28
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.28
H-Bond Donors ≤ 54
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-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)benzamide
CID 106279785
3-(N'-hydroxycarbamimidoyl)-N-(2-methylsulfanylethyl)benzamide
CID 76996589
3-N-(2-amino-2-methylpropyl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119630742
3-[(Z)-N'-hydroxycarbamimidoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 43156132
3-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)benzamide
CID 54934612
3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide
CID 81482947
3-(N'-hydroxycarbamimidoyl)-N-(3-methylsulfanylpropyl)benzamide
CID 76996492
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-methyl-4-(methylamino)benzamide
CID 106280162
3-[(E)-N'-hydroxycarbamimidoyl]-N-[(4-propylphenyl)methyl]benzamide
CID 59959770
N-(cyclopentylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43371334
2-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 113278377
N-(cyclobutylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43298902

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The IUPAC name of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide (CID 106279641) is N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide.
What is the SMILES notation for N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The canonical SMILES for N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide is CNC(=O)C(C)(C)CNC(=O)c1cccc(/C(N)=N/O)c1.
What is the InChIKey of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The InChIKey is CZNKNTUYJHAZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-14(2,13(20)16-3)8-17-12(19)10-6-4-5-9(7-10)11(15)18-21/h4-7,21H,8H2,1-3H3,(H2,15,18)(H,16,20)(H,17,19).
What are the key properties of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide has a molecular weight of 292.34 g/mol, XLogP of 0.28, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide is sourced from PubChem (CID 106279641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).