N-benzyl-3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpropanamide

C20H31N3O — CID 72935164

IUPACN-benzyl-3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCN1C[C@H](C2CC2)[C@@H](N(C)C)C1
InChIInChI=1S/C20H31N3O/c1-21(2)19-15-23(14-18(19)17-9-10-17)12-11-20(24)22(3)13-16-7-5-4-6-8-16/h4-8,17-19H,9-15H2,1-3H3/t18-,19+/m1/s1
InChIKeyXRUSNXBTKOFQOI-MOPGFXCFSA-N
MW329.49 g/mol
LogP2.31
Rot. Bonds7

About N-benzyl-3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpropanamide

N-benzyl-3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpropanamide (PubChem CID 72935164) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-benzyl-3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpropanamide
PubChem CID72935164
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-benzyl-3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCN1C[C@H](C2CC2)[C@@H](N(C)C)C1
InChIInChI=1S/C20H31N3O/c1-21(2)19-15-23(14-18(19)17-9-10-17)12-11-20(24)22(3)13-16-7-5-4-6-8-16/h4-8,17-19H,9-15H2,1-3H3/t18-,19+/m1/s1
InChIKeyXRUSNXBTKOFQOI-MOPGFXCFSA-N
XLogP2.31
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 92299
CID 92299
CID 11645153
CID 11645153
CID 3156713
CID 3156713
CID 190901
CID 190901
CID 3298213
CID 3298213
CID 11529874
CID 11529874
CID 11536862
CID 11536862
CID 11566229
CID 11566229
CID 11602095
CID 11602095
CID 11687843
CID 11687843
CID 60723604
CID 60723604
CID 1220050
CID 1220050

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpropanamide?
The IUPAC name of N-benzyl-3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpropanamide (CID 72935164) is N-benzyl-3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCN1C[C@H](C2CC2)[C@@H](N(C)C)C1.
What is the InChIKey of N-benzyl-3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpropanamide?
The InChIKey is XRUSNXBTKOFQOI-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H31N3O/c1-21(2)19-15-23(14-18(19)17-9-10-17)12-11-20(24)22(3)13-16-7-5-4-6-8-16/h4-8,17-19H,9-15H2,1-3H3/t18-,19+/m1/s1.
What are the key properties of N-benzyl-3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpropanamide?
N-benzyl-3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpropanamide has a molecular weight of 329.49 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 72935164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).