3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride

C18H26ClN3O3 — CID 119713843

IUPAC3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)C1
InChIInChI=1S/C18H25N3O3.ClH/c19-14-7-6-13(10-14)18(23)20-15-4-3-5-16(11-15)24-12-17(22)21-8-1-2-9-21;/h3-5,11,13-14H,1-2,6-10,12,19H2,(H,20,23);1H
InChIKeyHXJAGFZGTKWDMO-UHFFFAOYSA-N
MW367.88 g/mol
LogP2.18
Rot. Bonds5

About 3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119713843) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is 3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119713843
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)C1
InChIInChI=1S/C18H25N3O3.ClH/c19-14-7-6-13(10-14)18(23)20-15-4-3-5-16(11-15)24-12-17(22)21-8-1-2-9-21;/h3-5,11,13-14H,1-2,6-10,12,19H2,(H,20,23);1H
InChIKeyHXJAGFZGTKWDMO-UHFFFAOYSA-N
XLogP2.18
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride (CID 119713843) is 3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)C1.
What is the InChIKey of 3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is HXJAGFZGTKWDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c19-14-7-6-13(10-14)18(23)20-15-4-3-5-16(11-15)24-12-17(22)21-8-1-2-9-21;/h3-5,11,13-14H,1-2,6-10,12,19H2,(H,20,23);1H.
What are the key properties of 3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119713843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).