3-ethoxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]propanamide

C11H23N3O3 — CID 55091838

IUPAC3-ethoxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]propanamide
SMILESCCOCCC(=O)NC(CC)(CC)/C(N)=N/O
InChIInChI=1S/C11H23N3O3/c1-4-11(5-2,10(12)14-16)13-9(15)7-8-17-6-3/h16H,4-8H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyCXBSEZABCLROPW-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.83
Rot. Bonds8

About 3-ethoxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]propanamide

3-ethoxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]propanamide (PubChem CID 55091838) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-ethoxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]propanamide
PubChem CID55091838
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name3-ethoxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]propanamide
SMILESCCOCCC(=O)NC(CC)(CC)/C(N)=N/O
InChIInChI=1S/C11H23N3O3/c1-4-11(5-2,10(12)14-16)13-9(15)7-8-17-6-3/h16H,4-8H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyCXBSEZABCLROPW-UHFFFAOYSA-N
XLogP0.83
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 3-ethoxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]propanamide?
The IUPAC name of 3-ethoxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]propanamide (CID 55091838) is 3-ethoxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]propanamide?
The canonical SMILES for 3-ethoxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]propanamide is CCOCCC(=O)NC(CC)(CC)/C(N)=N/O.
What is the InChIKey of 3-ethoxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]propanamide?
The InChIKey is CXBSEZABCLROPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-4-11(5-2,10(12)14-16)13-9(15)7-8-17-6-3/h16H,4-8H2,1-3H3,(H2,12,14)(H,13,15).
What are the key properties of 3-ethoxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]propanamide?
3-ethoxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]propanamide has a molecular weight of 245.32 g/mol, XLogP of 0.83, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]propanamide is sourced from PubChem (CID 55091838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).