(Z)-2-(butanoylamino)-N-(3-fluoropropyl)-7-propoxynon-5-enamide

C19H35FN2O3 — CID 138738679

IUPAC(Z)-2-(butanoylamino)-N-(3-fluoropropyl)-7-propoxynon-5-enamide
SMILESCCCOC(/C=C\CCC(NC(=O)CCC)C(=O)NCCCF)CC
InChIInChI=1S/C19H35FN2O3/c1-4-10-18(23)22-17(19(24)21-14-9-13-20)12-8-7-11-16(6-3)25-15-5-2/h7,11,16-17H,4-6,8-10,12-15H2,1-3H3,(H,21,24)(H,22,23)/b11-7-
InChIKeyNAOQEIWGCNEAIT-XFFZJAGNSA-N
MW358.50 g/mol
LogP3.29
Rot. Bonds15

About (Z)-2-(butanoylamino)-N-(3-fluoropropyl)-7-propoxynon-5-enamide

(Z)-2-(butanoylamino)-N-(3-fluoropropyl)-7-propoxynon-5-enamide (PubChem CID 138738679) has the molecular formula C19H35FN2O3 and a molecular weight of 358.50 g/mol. Its IUPAC name is (Z)-2-(butanoylamino)-N-(3-fluoropropyl)-7-propoxynon-5-enamide.

Molecular Properties

Compound Name(Z)-2-(butanoylamino)-N-(3-fluoropropyl)-7-propoxynon-5-enamide
PubChem CID138738679
Molecular FormulaC19H35FN2O3
Molecular Weight358.50 g/mol
Exact Mass358.26
IUPAC Name(Z)-2-(butanoylamino)-N-(3-fluoropropyl)-7-propoxynon-5-enamide
SMILESCCCOC(/C=C\CCC(NC(=O)CCC)C(=O)NCCCF)CC
InChIInChI=1S/C19H35FN2O3/c1-4-10-18(23)22-17(19(24)21-14-9-13-20)12-8-7-11-16(6-3)25-15-5-2/h7,11,16-17H,4-6,8-10,12-15H2,1-3H3,(H,21,24)(H,22,23)/b11-7-
InChIKeyNAOQEIWGCNEAIT-XFFZJAGNSA-N
XLogP3.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.50
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(butanoylamino)-N-(3-fluoropropyl)-7-propoxynon-5-enamide?
The IUPAC name of (Z)-2-(butanoylamino)-N-(3-fluoropropyl)-7-propoxynon-5-enamide (CID 138738679) is (Z)-2-(butanoylamino)-N-(3-fluoropropyl)-7-propoxynon-5-enamide.
What is the SMILES notation for (Z)-2-(butanoylamino)-N-(3-fluoropropyl)-7-propoxynon-5-enamide?
The canonical SMILES for (Z)-2-(butanoylamino)-N-(3-fluoropropyl)-7-propoxynon-5-enamide is CCCOC(/C=C\CCC(NC(=O)CCC)C(=O)NCCCF)CC.
What is the InChIKey of (Z)-2-(butanoylamino)-N-(3-fluoropropyl)-7-propoxynon-5-enamide?
The InChIKey is NAOQEIWGCNEAIT-XFFZJAGNSA-N. The full InChI is InChI=1S/C19H35FN2O3/c1-4-10-18(23)22-17(19(24)21-14-9-13-20)12-8-7-11-16(6-3)25-15-5-2/h7,11,16-17H,4-6,8-10,12-15H2,1-3H3,(H,21,24)(H,22,23)/b11-7-.
What are the key properties of (Z)-2-(butanoylamino)-N-(3-fluoropropyl)-7-propoxynon-5-enamide?
(Z)-2-(butanoylamino)-N-(3-fluoropropyl)-7-propoxynon-5-enamide has a molecular weight of 358.50 g/mol, XLogP of 3.29, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(butanoylamino)-N-(3-fluoropropyl)-7-propoxynon-5-enamide is sourced from PubChem (CID 138738679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).