N-[(2R)-1-[(2S)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]pent-4-ynamide

C19H28N2O4 — CID 118551675

IUPACN-[(2R)-1-[(2S)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]pent-4-ynamide
SMILESC#CCCC(=O)N[C@H](CCC)C(=O)N1C(=O)C=C(OC)[C@@H]1CC(C)C
InChIInChI=1S/C19H28N2O4/c1-6-8-10-17(22)20-14(9-7-2)19(24)21-15(11-13(3)4)16(25-5)12-18(21)23/h1,12-15H,7-11H2,2-5H3,(H,20,22)/t14-,15+/m1/s1
InChIKeyQFAHCSBLFLJMMF-CABCVRRESA-N
MW348.44 g/mol
LogP2.00
Rot. Bonds9

About N-[(2R)-1-[(2S)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]pent-4-ynamide

N-[(2R)-1-[(2S)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]pent-4-ynamide (PubChem CID 118551675) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[(2R)-1-[(2S)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]pent-4-ynamide.

Molecular Properties

Compound NameN-[(2R)-1-[(2S)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]pent-4-ynamide
PubChem CID118551675
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[(2R)-1-[(2S)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]pent-4-ynamide
SMILESC#CCCC(=O)N[C@H](CCC)C(=O)N1C(=O)C=C(OC)[C@@H]1CC(C)C
InChIInChI=1S/C19H28N2O4/c1-6-8-10-17(22)20-14(9-7-2)19(24)21-15(11-13(3)4)16(25-5)12-18(21)23/h1,12-15H,7-11H2,2-5H3,(H,20,22)/t14-,15+/m1/s1
InChIKeyQFAHCSBLFLJMMF-CABCVRRESA-N
XLogP2.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2R)-1-[(2S)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]pent-4-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(2S)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]pent-4-ynamide?
The IUPAC name of N-[(2R)-1-[(2S)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]pent-4-ynamide (CID 118551675) is N-[(2R)-1-[(2S)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]pent-4-ynamide.
What is the SMILES notation for N-[(2R)-1-[(2S)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]pent-4-ynamide?
The canonical SMILES for N-[(2R)-1-[(2S)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]pent-4-ynamide is C#CCCC(=O)N[C@H](CCC)C(=O)N1C(=O)C=C(OC)[C@@H]1CC(C)C.
What is the InChIKey of N-[(2R)-1-[(2S)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]pent-4-ynamide?
The InChIKey is QFAHCSBLFLJMMF-CABCVRRESA-N. The full InChI is InChI=1S/C19H28N2O4/c1-6-8-10-17(22)20-14(9-7-2)19(24)21-15(11-13(3)4)16(25-5)12-18(21)23/h1,12-15H,7-11H2,2-5H3,(H,20,22)/t14-,15+/m1/s1.
What are the key properties of N-[(2R)-1-[(2S)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]pent-4-ynamide?
N-[(2R)-1-[(2S)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]pent-4-ynamide has a molecular weight of 348.44 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(2S)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]pent-4-ynamide is sourced from PubChem (CID 118551675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).