2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide

C10H20N4O3 — CID 114292643

IUPAC2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
SMILESCCC(C)(C(=O)N(C)CC(=O)NC)C(N)=NO
InChIInChI=1S/C10H20N4O3/c1-5-10(2,8(11)13-17)9(16)14(4)6-7(15)12-3/h17H,5-6H2,1-4H3,(H2,11,13)(H,12,15)
InChIKeySQAUJSSFYCFVKR-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.65
Rot. Bonds5

About 2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide

2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide (PubChem CID 114292643) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
PubChem CID114292643
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
SMILESCCC(C)(C(=O)N(C)CC(=O)NC)C(N)=NO
InChIInChI=1S/C10H20N4O3/c1-5-10(2,8(11)13-17)9(16)14(4)6-7(15)12-3/h17H,5-6H2,1-4H3,(H2,11,13)(H,12,15)
InChIKeySQAUJSSFYCFVKR-UHFFFAOYSA-N
XLogP-0.65
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.65
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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Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide (CID 114292643) is 2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide is CCC(C)(C(=O)N(C)CC(=O)NC)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide?
The InChIKey is SQAUJSSFYCFVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-5-10(2,8(11)13-17)9(16)14(4)6-7(15)12-3/h17H,5-6H2,1-4H3,(H2,11,13)(H,12,15).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide?
2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide has a molecular weight of 244.29 g/mol, XLogP of -0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 114292643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).