2-(3-aminopropoxy)-4-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzamide

C17H24ClN3O3 — CID 119061351

IUPAC2-(3-aminopropoxy)-4-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzamide
SMILESCN1CC(CN(C)C(=O)c2ccc(Cl)cc2OCCCN)CC1=O
InChIInChI=1S/C17H24ClN3O3/c1-20-10-12(8-16(20)22)11-21(2)17(23)14-5-4-13(18)9-15(14)24-7-3-6-19/h4-5,9,12H,3,6-8,10-11,19H2,1-2H3
InChIKeyDMHYRGWWVIFKKG-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.62
Rot. Bonds7

About 2-(3-aminopropoxy)-4-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzamide

2-(3-aminopropoxy)-4-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzamide (PubChem CID 119061351) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-4-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(3-aminopropoxy)-4-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzamide
PubChem CID119061351
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name2-(3-aminopropoxy)-4-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzamide
SMILESCN1CC(CN(C)C(=O)c2ccc(Cl)cc2OCCCN)CC1=O
InChIInChI=1S/C17H24ClN3O3/c1-20-10-12(8-16(20)22)11-21(2)17(23)14-5-4-13(18)9-15(14)24-7-3-6-19/h4-5,9,12H,3,6-8,10-11,19H2,1-2H3
InChIKeyDMHYRGWWVIFKKG-UHFFFAOYSA-N
XLogP1.62
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxy)-4-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 2-(3-aminopropoxy)-4-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzamide (CID 119061351) is 2-(3-aminopropoxy)-4-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-(3-aminopropoxy)-4-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 2-(3-aminopropoxy)-4-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzamide is CN1CC(CN(C)C(=O)c2ccc(Cl)cc2OCCCN)CC1=O.
What is the InChIKey of 2-(3-aminopropoxy)-4-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzamide?
The InChIKey is DMHYRGWWVIFKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-20-10-12(8-16(20)22)11-21(2)17(23)14-5-4-13(18)9-15(14)24-7-3-6-19/h4-5,9,12H,3,6-8,10-11,19H2,1-2H3.
What are the key properties of 2-(3-aminopropoxy)-4-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzamide?
2-(3-aminopropoxy)-4-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzamide has a molecular weight of 353.85 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)-4-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 119061351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).