2-formamido-N,3,3-trimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide

C17H33N3O2 — CID 89282907

IUPAC2-formamido-N,3,3-trimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide
SMILESCC(C)C(CN1CCCC1)N(C)C(=O)C(NC=O)C(C)(C)C
InChIInChI=1S/C17H33N3O2/c1-13(2)14(11-20-9-7-8-10-20)19(6)16(22)15(18-12-21)17(3,4)5/h12-15H,7-11H2,1-6H3,(H,18,21)
InChIKeyXYOCLPYNUONUFV-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.73
Rot. Bonds7

About 2-formamido-N,3,3-trimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide

2-formamido-N,3,3-trimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide (PubChem CID 89282907) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-formamido-N,3,3-trimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide.

Molecular Properties

Compound Name2-formamido-N,3,3-trimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide
PubChem CID89282907
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name2-formamido-N,3,3-trimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide
SMILESCC(C)C(CN1CCCC1)N(C)C(=O)C(NC=O)C(C)(C)C
InChIInChI=1S/C17H33N3O2/c1-13(2)14(11-20-9-7-8-10-20)19(6)16(22)15(18-12-21)17(3,4)5/h12-15H,7-11H2,1-6H3,(H,18,21)
InChIKeyXYOCLPYNUONUFV-UHFFFAOYSA-N
XLogP1.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-formamido-N,3,3-trimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide 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

(2S)-2-amino-3,3-dimethyl-1-(pyrrolidin-1-yl)butan-1-one
CID 61148520
N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 15130907
(3S)-3-(3,3-dimethylbutylamino)-1-propan-2-ylpyrrolidin-2-one
CID 97820998
ethane;N-methylformamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
CID 166156699
ethane;methanamine;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167521392
butane;ethane;N-methylformamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167521827
N-[3,3-dimethyl-1-oxo-1-(3,3,4-trimethylpyrrolidin-1-yl)butan-2-yl]-2,2,2-trifluoroacetamide
CID 168941880
N-[(2S)-1-(3,3-dimethylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide
CID 170030670
3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)-N-pentylbutanamide
CID 132501275
N-[(2S)-3,3-dimethyl-1-oxo-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-2-yl]-2,2,2-trifluoroacetamide
CID 167522041
N-(3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide
CID 179057316
(2S)-N-[(2S)-1-[(2S)-2-[[(2-aminoacetyl)amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 15947641

Frequently Asked Questions

What is the IUPAC name of 2-formamido-N,3,3-trimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide?
The IUPAC name of 2-formamido-N,3,3-trimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide (CID 89282907) is 2-formamido-N,3,3-trimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide.
What is the SMILES notation for 2-formamido-N,3,3-trimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide?
The canonical SMILES for 2-formamido-N,3,3-trimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide is CC(C)C(CN1CCCC1)N(C)C(=O)C(NC=O)C(C)(C)C.
What is the InChIKey of 2-formamido-N,3,3-trimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide?
The InChIKey is XYOCLPYNUONUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-13(2)14(11-20-9-7-8-10-20)19(6)16(22)15(18-12-21)17(3,4)5/h12-15H,7-11H2,1-6H3,(H,18,21).
What are the key properties of 2-formamido-N,3,3-trimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide?
2-formamido-N,3,3-trimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide has a molecular weight of 311.47 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-N,3,3-trimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide is sourced from PubChem (CID 89282907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).