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

C13H26N2O — CID 167386473

IUPAC2-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide
SMILESCC(C)C(=O)N[C@H](CN1CCCC1)C(C)C
InChIInChI=1S/C13H26N2O/c1-10(2)12(14-13(16)11(3)4)9-15-7-5-6-8-15/h10-12H,5-9H2,1-4H3,(H,14,16)/t12-/m1/s1
InChIKeyPCPURRXRQIQZLF-GFCCVEGCSA-N
MW226.36 g/mol
LogP1.88
Rot. Bonds5

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

2-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide (PubChem CID 167386473) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide
PubChem CID167386473
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide
SMILESCC(C)C(=O)N[C@H](CN1CCCC1)C(C)C
InChIInChI=1S/C13H26N2O/c1-10(2)12(14-13(16)11(3)4)9-15-7-5-6-8-15/h10-12H,5-9H2,1-4H3,(H,14,16)/t12-/m1/s1
InChIKeyPCPURRXRQIQZLF-GFCCVEGCSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 167386314
N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide
CID 167034979
2-methyl-N-[3-methyl-1-(4-methylpiperazin-1-yl)butan-2-yl]propanamide
CID 163271288
N-[(2R,3S)-4-(azepan-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide
CID 169251543
2-methyl-N-[3-methyl-1-(4-methyl-3-oxopiperazin-1-yl)butan-2-yl]propanamide
CID 169251204
2-methyl-N-[(2R)-3-methyl-1-(2-oxopyrrolidin-1-yl)butan-2-yl]propanamide
CID 176871269
(2S)-3-methyl-N-propan-2-yl-1-pyrrolidin-1-ylbutan-2-amine
CID 54557324
4-chloro-2-(fluoromethyl)-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 123915044
2-methyl-N-[(2S)-3-methyl-1-[(2R)-1-methylpiperidin-2-yl]butan-2-yl]propanamide
CID 167386456
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide
CID 39086818
N-[(2S)-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]acetamide
CID 163271287
N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide (CID 167386473) is 2-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide is CC(C)C(=O)N[C@H](CN1CCCC1)C(C)C.
What is the InChIKey of 2-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide?
The InChIKey is PCPURRXRQIQZLF-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)12(14-13(16)11(3)4)9-15-7-5-6-8-15/h10-12H,5-9H2,1-4H3,(H,14,16)/t12-/m1/s1.
What are the key properties of 2-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide?
2-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide has a molecular weight of 226.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide is sourced from PubChem (CID 167386473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).