N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide

C13H23N3O3 — CID 80597461

IUPACN-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide
SMILESCOCCN(C(=O)C1(C(N)=NO)CC(C)C1)C1CC1
InChIInChI=1S/C13H23N3O3/c1-9-7-13(8-9,11(14)15-18)12(17)16(5-6-19-2)10-3-4-10/h9-10,18H,3-8H2,1-2H3,(H2,14,15)
InChIKeyGJLCWWHHHXFMGP-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.79
Rot. Bonds6

About N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide

N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide (PubChem CID 80597461) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide
PubChem CID80597461
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide
SMILESCOCCN(C(=O)C1(C(N)=NO)CC(C)C1)C1CC1
InChIInChI=1S/C13H23N3O3/c1-9-7-13(8-9,11(14)15-18)12(17)16(5-6-19-2)10-3-4-10/h9-10,18H,3-8H2,1-2H3,(H2,14,15)
InChIKeyGJLCWWHHHXFMGP-UHFFFAOYSA-N
XLogP0.79
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.79
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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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide?
The IUPAC name of N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide (CID 80597461) is N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide is COCCN(C(=O)C1(C(N)=NO)CC(C)C1)C1CC1.
What is the InChIKey of N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide?
The InChIKey is GJLCWWHHHXFMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9-7-13(8-9,11(14)15-18)12(17)16(5-6-19-2)10-3-4-10/h9-10,18H,3-8H2,1-2H3,(H2,14,15).
What are the key properties of N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide?
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide has a molecular weight of 269.34 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80597461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).