3-methyl-2-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbutanamide

C14H27N3O2 — CID 119454087

IUPAC3-methyl-2-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbutanamide
SMILESCC(C)CC(=O)NC(C(=O)NC1CCNC1)C(C)C
InChIInChI=1S/C14H27N3O2/c1-9(2)7-12(18)17-13(10(3)4)14(19)16-11-5-6-15-8-11/h9-11,13,15H,5-8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyJJGSGTARLGIHFJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.65
Rot. Bonds6

About 3-methyl-2-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbutanamide

3-methyl-2-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbutanamide (PubChem CID 119454087) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-methyl-2-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbutanamide.

Molecular Properties

Compound Name3-methyl-2-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbutanamide
PubChem CID119454087
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-methyl-2-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbutanamide
SMILESCC(C)CC(=O)NC(C(=O)NC1CCNC1)C(C)C
InChIInChI=1S/C14H27N3O2/c1-9(2)7-12(18)17-13(10(3)4)14(19)16-11-5-6-15-8-11/h9-11,13,15H,5-8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyJJGSGTARLGIHFJ-UHFFFAOYSA-N
XLogP0.65
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride
CID 119459369
3-methyl-2-(3-methylbutanoylamino)-N-(piperidin-3-ylmethyl)butanamide
CID 119464375
3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide
CID 120577674
3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide
CID 119449816
3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120577673
2-methyl-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)butan-2-yl]benzamide;hydrochloride
CID 119450919
N-pyrrolidin-3-ylpropanamide
CID 18337238
N-[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide;hydrochloride
CID 120655829
3-amino-2-methyl-N-pyrrolidin-3-ylpropanamide
CID 130616618
4-chloro-N-[3-methyl-1-oxo-1-(piperidin-3-ylamino)butan-2-yl]benzamide
CID 119428842
2-(cyclohexylmethyl)-3-methyl-N-pyrrolidin-3-ylbutanamide
CID 119452441
acetylene;propane;N-[(3S)-pyrrolidin-3-yl]propanamide
CID 143542096

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbutanamide?
The IUPAC name of 3-methyl-2-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbutanamide (CID 119454087) is 3-methyl-2-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbutanamide.
What is the SMILES notation for 3-methyl-2-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbutanamide?
The canonical SMILES for 3-methyl-2-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbutanamide is CC(C)CC(=O)NC(C(=O)NC1CCNC1)C(C)C.
What is the InChIKey of 3-methyl-2-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbutanamide?
The InChIKey is JJGSGTARLGIHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-9(2)7-12(18)17-13(10(3)4)14(19)16-11-5-6-15-8-11/h9-11,13,15H,5-8H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 3-methyl-2-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbutanamide?
3-methyl-2-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbutanamide has a molecular weight of 269.39 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbutanamide is sourced from PubChem (CID 119454087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).