2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide

C24H44N4O4 — CID 159759290

IUPAC2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)C(C)C)C1.CC(C)C(=O)NC1CCN(C(=O)C(C)C)C1
InChIInChI=1S/2C12H22N2O2/c2*1-8(2)11(15)13-10-5-6-14(7-10)12(16)9(3)4/h2*8-10H,5-7H2,1-4H3,(H,13,15)
InChIKeyNERAZIMHMMLIQF-UHFFFAOYSA-N
MW452.64 g/mol
LogP2.03
Rot. Bonds6

About 2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide

2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide (PubChem CID 159759290) has the molecular formula C24H44N4O4 and a molecular weight of 452.64 g/mol. Its IUPAC name is 2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide
PubChem CID159759290
Molecular FormulaC24H44N4O4
Molecular Weight452.64 g/mol
Exact Mass452.34
IUPAC Name2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)C(C)C)C1.CC(C)C(=O)NC1CCN(C(=O)C(C)C)C1
InChIInChI=1S/2C12H22N2O2/c2*1-8(2)11(15)13-10-5-6-14(7-10)12(16)9(3)4/h2*8-10H,5-7H2,1-4H3,(H,13,15)
InChIKeyNERAZIMHMMLIQF-UHFFFAOYSA-N
XLogP2.03
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.64
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555
2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid
CID 114898097
2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide
CID 43711887
2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747822
2-methyl-N-(1-propanoylpiperidin-4-yl)propanamide
CID 60769090
N-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 156532471
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride
CID 91659753
(3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid
CID 70098972
2-methyl-N-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide
CID 113223568
N-(1-cyclopentylpyrrolidin-3-yl)-2-methylpropanamide
CID 110459860
N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide
CID 77144242
N-[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]acetamide
CID 66567654

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide (CID 159759290) is 2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide is CC(C)C(=O)NC1CCN(C(=O)C(C)C)C1.CC(C)C(=O)NC1CCN(C(=O)C(C)C)C1.
What is the InChIKey of 2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide?
The InChIKey is NERAZIMHMMLIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H22N2O2/c2*1-8(2)11(15)13-10-5-6-14(7-10)12(16)9(3)4/h2*8-10H,5-7H2,1-4H3,(H,13,15).
What are the key properties of 2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide?
2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide has a molecular weight of 452.64 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 159759290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).