4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2,2-dimethylpropyl)benzamide

C17H25N3O2 — CID 119412429

IUPAC4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2,2-dimethylpropyl)benzamide
SMILESCC(C)(C)CNC(=O)c1ccc(C(=O)N2CC[C@@H](N)C2)cc1
InChIInChI=1S/C17H25N3O2/c1-17(2,3)11-19-15(21)12-4-6-13(7-5-12)16(22)20-9-8-14(18)10-20/h4-7,14H,8-11,18H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyMSGFLPGXAWIXIQ-CQSZACIVSA-N
MW303.41 g/mol
LogP1.64
Rot. Bonds3

About 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2,2-dimethylpropyl)benzamide

4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2,2-dimethylpropyl)benzamide (PubChem CID 119412429) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2,2-dimethylpropyl)benzamide.

Molecular Properties

Compound Name4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2,2-dimethylpropyl)benzamide
PubChem CID119412429
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2,2-dimethylpropyl)benzamide
SMILESCC(C)(C)CNC(=O)c1ccc(C(=O)N2CC[C@@H](N)C2)cc1
InChIInChI=1S/C17H25N3O2/c1-17(2,3)11-19-15(21)12-4-6-13(7-5-12)16(22)20-9-8-14(18)10-20/h4-7,14H,8-11,18H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyMSGFLPGXAWIXIQ-CQSZACIVSA-N
XLogP1.64
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2,2-dimethylpropyl)benzamide 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-(2,2-dimethylpropyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119397904
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516
[(3R)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119409702
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
(3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
CID 75526663
(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
CID 62068283
(2R,3R)-1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-2-methylpiperidine-3-carboxylic acid
CID 122116009
(4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 159043850
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
CID 119413093
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119411623
1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 102559914
[(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone
CID 175436371

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2,2-dimethylpropyl)benzamide?
The IUPAC name of 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2,2-dimethylpropyl)benzamide (CID 119412429) is 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2,2-dimethylpropyl)benzamide.
What is the SMILES notation for 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2,2-dimethylpropyl)benzamide?
The canonical SMILES for 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2,2-dimethylpropyl)benzamide is CC(C)(C)CNC(=O)c1ccc(C(=O)N2CC[C@@H](N)C2)cc1.
What is the InChIKey of 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2,2-dimethylpropyl)benzamide?
The InChIKey is MSGFLPGXAWIXIQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-17(2,3)11-19-15(21)12-4-6-13(7-5-12)16(22)20-9-8-14(18)10-20/h4-7,14H,8-11,18H2,1-3H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2,2-dimethylpropyl)benzamide?
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2,2-dimethylpropyl)benzamide has a molecular weight of 303.41 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2,2-dimethylpropyl)benzamide is sourced from PubChem (CID 119412429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).