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

C18H29N3O2 — CID 91910923

IUPACN-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-3-methoxypropanamide
SMILESCOCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1CN(C)C
InChIInChI=1S/C18H29N3O2/c1-20(2)12-16-13-21(11-15-7-5-4-6-8-15)14-17(16)19-18(22)9-10-23-3/h4-8,16-17H,9-14H2,1-3H3,(H,19,22)/t16-,17-/m1/s1
InChIKeyQXFRLZLCWGVQBL-IAGOWNOFSA-N
MW319.45 g/mol
LogP1.20
Rot. Bonds8

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

N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-3-methoxypropanamide (PubChem CID 91910923) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-3-methoxypropanamide
PubChem CID91910923
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-3-methoxypropanamide
SMILESCOCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1CN(C)C
InChIInChI=1S/C18H29N3O2/c1-20(2)12-16-13-21(11-15-7-5-4-6-8-15)14-17(16)19-18(22)9-10-23-3/h4-8,16-17H,9-14H2,1-3H3,(H,19,22)/t16-,17-/m1/s1
InChIKeyQXFRLZLCWGVQBL-IAGOWNOFSA-N
XLogP1.20
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-3-methoxypropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-3-methoxypropanamide?
The IUPAC name of N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-3-methoxypropanamide (CID 91910923) is N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-3-methoxypropanamide?
The canonical SMILES for N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-3-methoxypropanamide is COCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1CN(C)C.
What is the InChIKey of N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-3-methoxypropanamide?
The InChIKey is QXFRLZLCWGVQBL-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-20(2)12-16-13-21(11-15-7-5-4-6-8-15)14-17(16)19-18(22)9-10-23-3/h4-8,16-17H,9-14H2,1-3H3,(H,19,22)/t16-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-3-methoxypropanamide?
N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-3-methoxypropanamide has a molecular weight of 319.45 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-3-methoxypropanamide is sourced from PubChem (CID 91910923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).