3-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

C13H25N3O2 — CID 102777521

IUPAC3-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)C1NCCC1C
InChIInChI=1S/C13H25N3O2/c1-8(2)7-10(12(17)14-4)16-13(18)11-9(3)5-6-15-11/h8-11,15H,5-7H2,1-4H3,(H,14,17)(H,16,18)
InChIKeyCNMNTGIANXHBJD-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.26
Rot. Bonds5

About 3-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

3-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 102777521) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
PubChem CID102777521
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)C1NCCC1C
InChIInChI=1S/C13H25N3O2/c1-8(2)7-10(12(17)14-4)16-13(18)11-9(3)5-6-15-11/h8-11,15H,5-7H2,1-4H3,(H,14,17)(H,16,18)
InChIKeyCNMNTGIANXHBJD-UHFFFAOYSA-N
XLogP0.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 60776170
2-[(3-methylpyrrolidine-2-carbonyl)amino]butanedioic acid
CID 102779851
N-butan-2-yl-3-methylpyrrolidine-2-carboxamide
CID 102776775
2-hydroxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopentane-1-carboxamide
CID 110015354
3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]piperidine-2-carboxamide
CID 62340143
(2R)-4-hydroxy-2-[(3-methylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 107825151
2-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
CID 64822146
methyl (2S)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoate
CID 102778052
3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
CID 63043214
(2R,5S)-5-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102944794
3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide
CID 107067392
3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 102779216

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide (CID 102777521) is 3-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide is CNC(=O)C(CC(C)C)NC(=O)C1NCCC1C.
What is the InChIKey of 3-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is CNMNTGIANXHBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-8(2)7-10(12(17)14-4)16-13(18)11-9(3)5-6-15-11/h8-11,15H,5-7H2,1-4H3,(H,14,17)(H,16,18).
What are the key properties of 3-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
3-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 102777521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).