3-amino-N-(2-cyclopentyloxyethyl)-2-phenylpropanamide;hydrochloride

C16H25ClN2O2 — CID 119737692

IUPAC3-amino-N-(2-cyclopentyloxyethyl)-2-phenylpropanamide;hydrochloride
SMILESCl.NCC(C(=O)NCCOC1CCCC1)c1ccccc1
InChIInChI=1S/C16H24N2O2.ClH/c17-12-15(13-6-2-1-3-7-13)16(19)18-10-11-20-14-8-4-5-9-14;/h1-3,6-7,14-15H,4-5,8-12,17H2,(H,18,19);1H
InChIKeyWBPWOQGJHAHVLB-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.23
Rot. Bonds7

About 3-amino-N-(2-cyclopentyloxyethyl)-2-phenylpropanamide;hydrochloride

3-amino-N-(2-cyclopentyloxyethyl)-2-phenylpropanamide;hydrochloride (PubChem CID 119737692) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 3-amino-N-(2-cyclopentyloxyethyl)-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-cyclopentyloxyethyl)-2-phenylpropanamide;hydrochloride
PubChem CID119737692
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name3-amino-N-(2-cyclopentyloxyethyl)-2-phenylpropanamide;hydrochloride
SMILESCl.NCC(C(=O)NCCOC1CCCC1)c1ccccc1
InChIInChI=1S/C16H24N2O2.ClH/c17-12-15(13-6-2-1-3-7-13)16(19)18-10-11-20-14-8-4-5-9-14;/h1-3,6-7,14-15H,4-5,8-12,17H2,(H,18,19);1H
InChIKeyWBPWOQGJHAHVLB-UHFFFAOYSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-cycloheptyloxyethyl)-2-phenylacetamide;hydrochloride
CID 119325370
2-chloro-N-(2-cyclopentyloxyethyl)-2-phenylacetamide
CID 63826472
N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 115738013
2-(3-aminophenyl)-N-(2-cyclopentyloxyethyl)propanamide
CID 106591466
3-amino-N-[(4-ethylcyclohexyl)methyl]-2-phenylpropanamide
CID 62876968
3-amino-2-phenyl-N-(thian-4-ylmethyl)propanamide;hydrochloride
CID 119756545
3-amino-N-[2-(oxolan-2-yl)ethyl]-2-phenylpropanamide
CID 62878363
3-amino-N-(2-cyclopropylpropyl)-2-phenylpropanamide
CID 115738526
3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042
(2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride
CID 119325372
3-amino-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 62878557
benzyl 3-[(3-amino-2-phenylpropanoyl)amino]propanoate
CID 54506547

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyclopentyloxyethyl)-2-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-cyclopentyloxyethyl)-2-phenylpropanamide;hydrochloride (CID 119737692) is 3-amino-N-(2-cyclopentyloxyethyl)-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-cyclopentyloxyethyl)-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-cyclopentyloxyethyl)-2-phenylpropanamide;hydrochloride is Cl.NCC(C(=O)NCCOC1CCCC1)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-cyclopentyloxyethyl)-2-phenylpropanamide;hydrochloride?
The InChIKey is WBPWOQGJHAHVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c17-12-15(13-6-2-1-3-7-13)16(19)18-10-11-20-14-8-4-5-9-14;/h1-3,6-7,14-15H,4-5,8-12,17H2,(H,18,19);1H.
What are the key properties of 3-amino-N-(2-cyclopentyloxyethyl)-2-phenylpropanamide;hydrochloride?
3-amino-N-(2-cyclopentyloxyethyl)-2-phenylpropanamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyclopentyloxyethyl)-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119737692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).