2-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride

C15H23ClN2O3 — CID 119723449

IUPAC2-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCOCCOc1cccc(NC(=O)C2CCCC2N)c1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-19-8-9-20-12-5-2-4-11(10-12)17-15(18)13-6-3-7-14(13)16;/h2,4-5,10,13-14H,3,6-9,16H2,1H3,(H,17,18);1H
InChIKeyQDWBYCRQIXXHQP-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.20
Rot. Bonds6

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

2-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119723449) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119723449
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCOCCOc1cccc(NC(=O)C2CCCC2N)c1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-19-8-9-20-12-5-2-4-11(10-12)17-15(18)13-6-3-7-14(13)16;/h2,4-5,10,13-14H,3,6-9,16H2,1H3,(H,17,18);1H
InChIKeyQDWBYCRQIXXHQP-UHFFFAOYSA-N
XLogP2.20
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.20
H-Bond Donors ≤ 52
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-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride (CID 119723449) is 2-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride is COCCOc1cccc(NC(=O)C2CCCC2N)c1.Cl.
What is the InChIKey of 2-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is QDWBYCRQIXXHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-19-8-9-20-12-5-2-4-11(10-12)17-15(18)13-6-3-7-14(13)16;/h2,4-5,10,13-14H,3,6-9,16H2,1H3,(H,17,18);1H.
What are the key properties of 2-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride?
2-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119723449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).