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

C16H26N2O3 — CID 131971354

IUPACN-[(2S)-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide
SMILESCCC[C@H](NC(=O)CC)C(=O)N1C(=O)C=C(C)[C@H]1CCC
InChIInChI=1S/C16H26N2O3/c1-5-8-12(17-14(19)7-3)16(21)18-13(9-6-2)11(4)10-15(18)20/h10,12-13H,5-9H2,1-4H3,(H,17,19)/t12-,13+/m0/s1
InChIKeyAQQJTVIKVJVLCT-QWHCGFSZSA-N
MW294.40 g/mol
LogP2.17
Rot. Bonds7

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

N-[(2S)-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide (PubChem CID 131971354) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[(2S)-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide
PubChem CID131971354
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-[(2S)-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide
SMILESCCC[C@H](NC(=O)CC)C(=O)N1C(=O)C=C(C)[C@H]1CCC
InChIInChI=1S/C16H26N2O3/c1-5-8-12(17-14(19)7-3)16(21)18-13(9-6-2)11(4)10-15(18)20/h10,12-13H,5-9H2,1-4H3,(H,17,19)/t12-,13+/m0/s1
InChIKeyAQQJTVIKVJVLCT-QWHCGFSZSA-N
XLogP2.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide?
The IUPAC name of N-[(2S)-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide (CID 131971354) is N-[(2S)-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide.
What is the SMILES notation for N-[(2S)-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide?
The canonical SMILES for N-[(2S)-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide is CCC[C@H](NC(=O)CC)C(=O)N1C(=O)C=C(C)[C@H]1CCC.
What is the InChIKey of N-[(2S)-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide?
The InChIKey is AQQJTVIKVJVLCT-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-8-12(17-14(19)7-3)16(21)18-13(9-6-2)11(4)10-15(18)20/h10,12-13H,5-9H2,1-4H3,(H,17,19)/t12-,13+/m0/s1.
What are the key properties of N-[(2S)-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide?
N-[(2S)-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide has a molecular weight of 294.40 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide is sourced from PubChem (CID 131971354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).