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

C17H28N2O3 — CID 131971347

IUPACN-[(2R)-4-methyl-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide
SMILESCCC[C@@H]1C(C)=CC(=O)N1C(=O)[C@@H](CC(C)C)NC(=O)CC
InChIInChI=1S/C17H28N2O3/c1-6-8-14-12(5)10-16(21)19(14)17(22)13(9-11(3)4)18-15(20)7-2/h10-11,13-14H,6-9H2,1-5H3,(H,18,20)/t13-,14-/m1/s1
InChIKeyNYMXTZXZZLXQDS-ZIAGYGMSSA-N
MW308.42 g/mol
LogP2.41
Rot. Bonds7

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

N-[(2R)-4-methyl-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide (PubChem CID 131971347) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-[(2R)-4-methyl-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2R)-4-methyl-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide
PubChem CID131971347
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-[(2R)-4-methyl-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide
SMILESCCC[C@@H]1C(C)=CC(=O)N1C(=O)[C@@H](CC(C)C)NC(=O)CC
InChIInChI=1S/C17H28N2O3/c1-6-8-14-12(5)10-16(21)19(14)17(22)13(9-11(3)4)18-15(20)7-2/h10-11,13-14H,6-9H2,1-5H3,(H,18,20)/t13-,14-/m1/s1
InChIKeyNYMXTZXZZLXQDS-ZIAGYGMSSA-N
XLogP2.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

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
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
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-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]-2,2-dimethylpropanamide
CID 118551658
N-[(2R)-1-[(2S)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]pent-4-ynamide
CID 118551675
2,3-dimethyl-1-[2-(methylamino)propanoyl]-2H-pyrrol-5-one
CID 91047109
(2S)-4-methyl-2-[[2-(propylamino)acetyl]amino]pentanoic acid
CID 78976964
(2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
CID 119364791
(2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid
CID 28788895
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
benzyl 3-methyl-2-[[4-methyl-2-(propanoylamino)pentanoyl]amino]butanoate
CID 175097056

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-methyl-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide?
The IUPAC name of N-[(2R)-4-methyl-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide (CID 131971347) is N-[(2R)-4-methyl-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide.
What is the SMILES notation for N-[(2R)-4-methyl-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide?
The canonical SMILES for N-[(2R)-4-methyl-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide is CCC[C@@H]1C(C)=CC(=O)N1C(=O)[C@@H](CC(C)C)NC(=O)CC.
What is the InChIKey of N-[(2R)-4-methyl-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide?
The InChIKey is NYMXTZXZZLXQDS-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-6-8-14-12(5)10-16(21)19(14)17(22)13(9-11(3)4)18-15(20)7-2/h10-11,13-14H,6-9H2,1-5H3,(H,18,20)/t13-,14-/m1/s1.
What are the key properties of N-[(2R)-4-methyl-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide?
N-[(2R)-4-methyl-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide has a molecular weight of 308.42 g/mol, XLogP of 2.41, 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-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide is sourced from PubChem (CID 131971347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).