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

C18H30N2O3 — CID 58443722

IUPACN-[(2R)-4-methyl-1-[(2S)-3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide
SMILESCCC(=O)N[C@H](CC(C)C)C(=O)N1C(=O)C=C(C)[C@@H]1CC(C)C
InChIInChI=1S/C18H30N2O3/c1-7-16(21)19-14(8-11(2)3)18(23)20-15(9-12(4)5)13(6)10-17(20)22/h10-12,14-15H,7-9H2,1-6H3,(H,19,21)/t14-,15+/m1/s1
InChIKeyOBFROFJADBUKMB-CABCVRRESA-N
MW322.45 g/mol
LogP2.66
Rot. Bonds7

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

N-[(2R)-4-methyl-1-[(2S)-3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide (PubChem CID 58443722) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[(2R)-4-methyl-1-[(2S)-3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2R)-4-methyl-1-[(2S)-3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide
PubChem CID58443722
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC NameN-[(2R)-4-methyl-1-[(2S)-3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide
SMILESCCC(=O)N[C@H](CC(C)C)C(=O)N1C(=O)C=C(C)[C@@H]1CC(C)C
InChIInChI=1S/C18H30N2O3/c1-7-16(21)19-14(8-11(2)3)18(23)20-15(9-12(4)5)13(6)10-17(20)22/h10-12,14-15H,7-9H2,1-6H3,(H,19,21)/t14-,15+/m1/s1
InChIKeyOBFROFJADBUKMB-CABCVRRESA-N
XLogP2.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-methyl-1-[(2S)-3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide?
The IUPAC name of N-[(2R)-4-methyl-1-[(2S)-3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide (CID 58443722) is N-[(2R)-4-methyl-1-[(2S)-3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide.
What is the SMILES notation for N-[(2R)-4-methyl-1-[(2S)-3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide?
The canonical SMILES for N-[(2R)-4-methyl-1-[(2S)-3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide is CCC(=O)N[C@H](CC(C)C)C(=O)N1C(=O)C=C(C)[C@@H]1CC(C)C.
What is the InChIKey of N-[(2R)-4-methyl-1-[(2S)-3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide?
The InChIKey is OBFROFJADBUKMB-CABCVRRESA-N. The full InChI is InChI=1S/C18H30N2O3/c1-7-16(21)19-14(8-11(2)3)18(23)20-15(9-12(4)5)13(6)10-17(20)22/h10-12,14-15H,7-9H2,1-6H3,(H,19,21)/t14-,15+/m1/s1.
What are the key properties of N-[(2R)-4-methyl-1-[(2S)-3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide?
N-[(2R)-4-methyl-1-[(2S)-3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide has a molecular weight of 322.45 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-methyl-1-[(2S)-3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide is sourced from PubChem (CID 58443722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).