methane;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-[3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide

C37H64N4O6 — CID 161378287

IUPACmethane;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-[3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide
SMILESC.CCC(=O)N[C@H](CC(C)C)C(=O)N1C(=O)C=C(C)C1CC(C)C.CCC(=O)N[C@H](CC(C)C)C(=O)N1C(=O)C=C(C)[C@@H]1CC(C)C
InChIInChI=1S/2C18H30N2O3.CH4/c2*1-7-16(21)19-14(8-11(2)3)18(23)20-15(9-12(4)5)13(6)10-17(20)22;/h2*10-12,14-15H,7-9H2,1-6H3,(H,19,21);1H4/t14-,15?;14-,15+;/m11./s1
InChIKeyVRJHCZYUZCJBBA-MHFXVBCSSA-N
MW660.94 g/mol
LogP5.95
Rot. Bonds14

About methane;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-[3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide

methane;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-[3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide (PubChem CID 161378287) has the molecular formula C37H64N4O6 and a molecular weight of 660.94 g/mol. Its IUPAC name is methane;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-[3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide.

Molecular Properties

Compound Namemethane;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-[3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide
PubChem CID161378287
Molecular FormulaC37H64N4O6
Molecular Weight660.94 g/mol
Exact Mass660.48
IUPAC Namemethane;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-[3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide
SMILESC.CCC(=O)N[C@H](CC(C)C)C(=O)N1C(=O)C=C(C)C1CC(C)C.CCC(=O)N[C@H](CC(C)C)C(=O)N1C(=O)C=C(C)[C@@H]1CC(C)C
InChIInChI=1S/2C18H30N2O3.CH4/c2*1-7-16(21)19-14(8-11(2)3)18(23)20-15(9-12(4)5)13(6)10-17(20)22;/h2*10-12,14-15H,7-9H2,1-6H3,(H,19,21);1H4/t14-,15?;14-,15+;/m11./s1
InChIKeyVRJHCZYUZCJBBA-MHFXVBCSSA-N
XLogP5.95
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.94
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methane;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-[3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2R)-4-methyl-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide
CID 131971347
N-[(2S)-1-[(2S)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide
CID 131971351
N-[(2S)-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide
CID 131971354
N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]propanamide
CID 118551662
N-[(2R)-1-[(2S)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]pent-4-ynamide
CID 118551675
N-[5,5,5-trichloro-1-[3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]pent-4-ynamide
CID 118546290
tert-butyl N-[(2R)-5,5,5-trichloro-1-[(2R)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]carbamate
CID 118546186
N-[5,5,5-trichloro-4-methyl-1-[2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]acetamide
CID 90708039
2,3-dimethyl-1-[2-(methylamino)propanoyl]-2H-pyrrol-5-one
CID 91047109
(3aR,6aS)-4-[(2S)-2-acetamido-4-methylpentanoyl]-3-oxo-3a,6a-dihydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylic acid
CID 91248974
(2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
CID 119364791
(2S)-4-methyl-2-[[2-(propylamino)acetyl]amino]pentanoic acid
CID 78976964

Frequently Asked Questions

What is the IUPAC name of methane;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-[3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide?
The IUPAC name of methane;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-[3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide (CID 161378287) is methane;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-[3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide.
What is the SMILES notation for methane;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-[3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide?
The canonical SMILES for methane;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-[3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide is C.CCC(=O)N[C@H](CC(C)C)C(=O)N1C(=O)C=C(C)C1CC(C)C.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 methane;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-[3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide?
The InChIKey is VRJHCZYUZCJBBA-MHFXVBCSSA-N. The full InChI is InChI=1S/2C18H30N2O3.CH4/c2*1-7-16(21)19-14(8-11(2)3)18(23)20-15(9-12(4)5)13(6)10-17(20)22;/h2*10-12,14-15H,7-9H2,1-6H3,(H,19,21);1H4/t14-,15?;14-,15+;/m11./s1.
What are the key properties of methane;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-[3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide?
methane;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-[3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide has a molecular weight of 660.94 g/mol, XLogP of 5.95, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;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-[3-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide is sourced from PubChem (CID 161378287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).