N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-methoxy-2-methylpropanamide

C11H23N3O3 — CID 103022048

IUPACN-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-methoxy-2-methylpropanamide
SMILESCCC(CC)(NC(=O)C(C)(C)OC)C(N)=NO
InChIInChI=1S/C11H23N3O3/c1-6-11(7-2,8(12)14-16)13-9(15)10(3,4)17-5/h16H,6-7H2,1-5H3,(H2,12,14)(H,13,15)
InChIKeyUTJIIHZJUNJDRQ-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.83
Rot. Bonds6

About N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-methoxy-2-methylpropanamide

N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-methoxy-2-methylpropanamide (PubChem CID 103022048) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-methoxy-2-methylpropanamide
PubChem CID103022048
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC NameN-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-methoxy-2-methylpropanamide
SMILESCCC(CC)(NC(=O)C(C)(C)OC)C(N)=NO
InChIInChI=1S/C11H23N3O3/c1-6-11(7-2,8(12)14-16)13-9(15)10(3,4)17-5/h16H,6-7H2,1-5H3,(H2,12,14)(H,13,15)
InChIKeyUTJIIHZJUNJDRQ-UHFFFAOYSA-N
XLogP0.83
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.83
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 N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-methoxy-2-methylpropanamide (CID 103022048) is N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-methoxy-2-methylpropanamide is CCC(CC)(NC(=O)C(C)(C)OC)C(N)=NO.
What is the InChIKey of N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-methoxy-2-methylpropanamide?
The InChIKey is UTJIIHZJUNJDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-6-11(7-2,8(12)14-16)13-9(15)10(3,4)17-5/h16H,6-7H2,1-5H3,(H2,12,14)(H,13,15).
What are the key properties of N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-methoxy-2-methylpropanamide?
N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-methoxy-2-methylpropanamide has a molecular weight of 245.32 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103022048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).