N-[3,3-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)acetamide

C15H30N4O2 — CID 143330081

IUPACN-[3,3-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)NC(C(=O)N1CCCC1CNC)C(C)(C)C
InChIInChI=1S/C15H30N4O2/c1-15(2,3)13(18-12(20)10-17-5)14(21)19-8-6-7-11(19)9-16-4/h11,13,16-17H,6-10H2,1-5H3,(H,18,20)
InChIKeyFHJQBIGONGPWEQ-UHFFFAOYSA-N
MW298.43 g/mol
LogP-0.05
Rot. Bonds6

About N-[3,3-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)acetamide

N-[3,3-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)acetamide (PubChem CID 143330081) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[3,3-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[3,3-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)acetamide
PubChem CID143330081
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC NameN-[3,3-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)NC(C(=O)N1CCCC1CNC)C(C)(C)C
InChIInChI=1S/C15H30N4O2/c1-15(2,3)13(18-12(20)10-17-5)14(21)19-8-6-7-11(19)9-16-4/h11,13,16-17H,6-10H2,1-5H3,(H,18,20)
InChIKeyFHJQBIGONGPWEQ-UHFFFAOYSA-N
XLogP-0.05
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-[[formyl(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)acetamide
CID 143577788
1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 66569273
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
N-[[1-[3,3-dimethyl-2-[[2-(methylamino)acetyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-4-oxo-N-(2-phenylethyl)butanamide
CID 134423456
2,2-difluoro-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 103514142
1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 95037259
N'-[[1-[3,3-dimethyl-2-[[2-(methylamino)acetyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]-N,N'-bis[[3-(trifluoromethyl)phenyl]methyl]decanediamide
CID 143577817
2-(4-tert-butylphenoxy)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119649470
(2S)-N-[3,3-dimethyl-1-oxo-1-[2-[(2-oxo-5-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]butan-2-yl]-2-(methylamino)propanamide
CID 134423494
(2S)-N-[(2S)-1-[(2S)-2-[2-[(2-aminoacetyl)-propan-2-ylamino]ethyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 134423511
2-(3-tert-butylphenoxy)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119649746
3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 63249773

Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)acetamide?
The IUPAC name of N-[3,3-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)acetamide (CID 143330081) is N-[3,3-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[3,3-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)acetamide?
The canonical SMILES for N-[3,3-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)acetamide is CNCC(=O)NC(C(=O)N1CCCC1CNC)C(C)(C)C.
What is the InChIKey of N-[3,3-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)acetamide?
The InChIKey is FHJQBIGONGPWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-15(2,3)13(18-12(20)10-17-5)14(21)19-8-6-7-11(19)9-16-4/h11,13,16-17H,6-10H2,1-5H3,(H,18,20).
What are the key properties of N-[3,3-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)acetamide?
N-[3,3-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)acetamide has a molecular weight of 298.43 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)acetamide is sourced from PubChem (CID 143330081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).