(2S)-2-amino-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide;hydrochloride

C16H25ClN2O3 — CID 119340221

IUPAC(2S)-2-amino-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)NCCCOC1CCOC1
InChIInChI=1S/C16H24N2O3.ClH/c17-15(11-13-5-2-1-3-6-13)16(19)18-8-4-9-21-14-7-10-20-12-14;/h1-3,5-6,14-15H,4,7-12,17H2,(H,18,19);1H/t14?,15-;/m0./s1
InChIKeyATLVHTNLLXDTCX-SCYKNNLXSA-N
MW328.84 g/mol
LogP1.29
Rot. Bonds8

About (2S)-2-amino-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119340221) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide;hydrochloride
PubChem CID119340221
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name(2S)-2-amino-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)NCCCOC1CCOC1
InChIInChI=1S/C16H24N2O3.ClH/c17-15(11-13-5-2-1-3-6-13)16(19)18-8-4-9-21-14-7-10-20-12-14;/h1-3,5-6,14-15H,4,7-12,17H2,(H,18,19);1H/t14?,15-;/m0./s1
InChIKeyATLVHTNLLXDTCX-SCYKNNLXSA-N
XLogP1.29
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 51.29
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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Related Compounds

3-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide
CID 119812709
2-amino-N-[3-(oxolan-3-yloxy)propyl]pentanamide;hydrochloride
CID 119340229
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
(2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide
CID 119290183
(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide
CID 106310662
(2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride
CID 119308000
2-amino-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82942033
2-amino-3-methyl-N-[3-(oxolan-3-yloxy)propyl]pentanamide
CID 119812727
2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide
CID 113264265
(2R)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide
CID 103796033
2-amino-3-phenyl-N-[3-(1-phenylethoxy)propyl]propanamide;hydrochloride
CID 119273566
(2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide
CID 134824441

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide;hydrochloride (CID 119340221) is (2S)-2-amino-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide;hydrochloride is Cl.N[C@@H](Cc1ccccc1)C(=O)NCCCOC1CCOC1.
What is the InChIKey of (2S)-2-amino-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is ATLVHTNLLXDTCX-SCYKNNLXSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c17-15(11-13-5-2-1-3-6-13)16(19)18-8-4-9-21-14-7-10-20-12-14;/h1-3,5-6,14-15H,4,7-12,17H2,(H,18,19);1H/t14?,15-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119340221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).