N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]-2,2-dimethylpropanamide

C18H30N2O4 — CID 118551658

IUPACN-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]-2,2-dimethylpropanamide
SMILESCCC[C@@H]1C(OC)=CC(=O)N1C(=O)[C@@H](CCC)NC(=O)C(C)(C)C
InChIInChI=1S/C18H30N2O4/c1-7-9-12(19-17(23)18(3,4)5)16(22)20-13(10-8-2)14(24-6)11-15(20)21/h11-13H,7-10H2,1-6H3,(H,19,23)/t12-,13-/m1/s1
InChIKeyALJYDMNCICPCEP-CHWSQXEVSA-N
MW338.45 g/mol
LogP2.39
Rot. Bonds7

About N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]-2,2-dimethylpropanamide

N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]-2,2-dimethylpropanamide (PubChem CID 118551658) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]-2,2-dimethylpropanamide
PubChem CID118551658
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC NameN-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]-2,2-dimethylpropanamide
SMILESCCC[C@@H]1C(OC)=CC(=O)N1C(=O)[C@@H](CCC)NC(=O)C(C)(C)C
InChIInChI=1S/C18H30N2O4/c1-7-9-12(19-17(23)18(3,4)5)16(22)20-13(10-8-2)14(24-6)11-15(20)21/h11-13H,7-10H2,1-6H3,(H,19,23)/t12-,13-/m1/s1
InChIKeyALJYDMNCICPCEP-CHWSQXEVSA-N
XLogP2.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl)-1-oxopentan-2-yl]-2,2-dimethylpropanamide
CID 118551668
2,2-dimethyl-N-[(2R)-5,5,5-trichloro-1-[(2S)-3-methoxy-5-oxo-2-(3,3,3-trichloropropyl)-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide
CID 118546179
2,2-dimethyl-N-[(2S)-5,5,5-trichloro-1-[(2S)-3-methoxy-5-oxo-2-(3,3,3-trichloropropyl)-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide
CID 118546184
N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]propanamide
CID 118551662
N-[(2S)-1-[(2R)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide
CID 131971354
N-[(2S)-1-[(2S)-3-methyl-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]propanamide
CID 131971351
N-[(2R)-1-[(2S)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopentan-2-yl]pent-4-ynamide
CID 118551675
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
tert-butyl N-[(2R)-1-[(2R)-3-methoxy-5-methylidene-2-(2-methylpropyl)-2H-pyrrol-1-yl]-1-oxopentan-2-yl]carbamate
CID 118551750
tert-butyl N-[(2S)-1-[(2R)-3-methoxy-5-methylidene-2-(2-methylpropyl)-2H-pyrrol-1-yl]-1-oxopentan-2-yl]carbamate
CID 118551752
(2R)-2-amino-1-[(2S)-3-methoxy-5-methylidene-2-propyl-2H-pyrrol-1-yl]pentan-1-one
CID 118551733
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

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]-2,2-dimethylpropanamide (CID 118551658) is N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]-2,2-dimethylpropanamide is CCC[C@@H]1C(OC)=CC(=O)N1C(=O)[C@@H](CCC)NC(=O)C(C)(C)C.
What is the InChIKey of N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is ALJYDMNCICPCEP-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-7-9-12(19-17(23)18(3,4)5)16(22)20-13(10-8-2)14(24-6)11-15(20)21/h11-13H,7-10H2,1-6H3,(H,19,23)/t12-,13-/m1/s1.
What are the key properties of N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]-2,2-dimethylpropanamide?
N-[(2R)-1-[(2R)-3-methoxy-5-oxo-2-propyl-2H-pyrrol-1-yl]-1-oxopentan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 338.45 g/mol, XLogP of 2.39, 7 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]-1-oxopentan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 118551658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).