N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]propanamide

C17H28N2O4 — CID 118551662

IUPACN-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]propanamide
SMILESCCC[C@@H]1C(OC)=CC(=O)N1C(=O)[C@@H](CC(C)C)NC(=O)CC
InChIInChI=1S/C17H28N2O4/c1-6-8-13-14(23-5)10-16(21)19(13)17(22)12(9-11(3)4)18-15(20)7-2/h10-13H,6-9H2,1-5H3,(H,18,20)/t12-,13-/m1/s1
InChIKeyUSKJGZGYQUAMSN-CHWSQXEVSA-N
MW324.42 g/mol
LogP2.00
Rot. Bonds8

About N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]propanamide

N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]propanamide (PubChem CID 118551662) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]propanamide
PubChem CID118551662
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC NameN-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]propanamide
SMILESCCC[C@@H]1C(OC)=CC(=O)N1C(=O)[C@@H](CC(C)C)NC(=O)CC
InChIInChI=1S/C17H28N2O4/c1-6-8-13-14(23-5)10-16(21)19(13)17(22)12(9-11(3)4)18-15(20)7-2/h10-13H,6-9H2,1-5H3,(H,18,20)/t12-,13-/m1/s1
InChIKeyUSKJGZGYQUAMSN-CHWSQXEVSA-N
XLogP2.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]propanamide?
The IUPAC name of N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]propanamide (CID 118551662) is N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]propanamide.
What is the SMILES notation for N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]propanamide?
The canonical SMILES for N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]propanamide is CCC[C@@H]1C(OC)=CC(=O)N1C(=O)[C@@H](CC(C)C)NC(=O)CC.
What is the InChIKey of N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]propanamide?
The InChIKey is USKJGZGYQUAMSN-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-6-8-13-14(23-5)10-16(21)19(13)17(22)12(9-11(3)4)18-15(20)7-2/h10-13H,6-9H2,1-5H3,(H,18,20)/t12-,13-/m1/s1.
What are the key properties of N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]propanamide?
N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]propanamide has a molecular weight of 324.42 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]propanamide is sourced from PubChem (CID 118551662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).