2-amino-3-phenyl-N-[3-(1-phenylethoxy)propyl]propanamide;hydrochloride

C20H27ClN2O2 — CID 119273566

IUPAC2-amino-3-phenyl-N-[3-(1-phenylethoxy)propyl]propanamide;hydrochloride
SMILESCC(OCCCNC(=O)C(N)Cc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-16(18-11-6-3-7-12-18)24-14-8-13-22-20(23)19(21)15-17-9-4-2-5-10-17;/h2-7,9-12,16,19H,8,13-15,21H2,1H3,(H,22,23);1H
InChIKeyOVKXBIZJINLSTJ-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.26
Rot. Bonds9

About 2-amino-3-phenyl-N-[3-(1-phenylethoxy)propyl]propanamide;hydrochloride

2-amino-3-phenyl-N-[3-(1-phenylethoxy)propyl]propanamide;hydrochloride (PubChem CID 119273566) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 2-amino-3-phenyl-N-[3-(1-phenylethoxy)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-phenyl-N-[3-(1-phenylethoxy)propyl]propanamide;hydrochloride
PubChem CID119273566
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name2-amino-3-phenyl-N-[3-(1-phenylethoxy)propyl]propanamide;hydrochloride
SMILESCC(OCCCNC(=O)C(N)Cc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-16(18-11-6-3-7-12-18)24-14-8-13-22-20(23)19(21)15-17-9-4-2-5-10-17;/h2-7,9-12,16,19H,8,13-15,21H2,1H3,(H,22,23);1H
InChIKeyOVKXBIZJINLSTJ-UHFFFAOYSA-N
XLogP3.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.26
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-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
2-amino-4-methylsulfanyl-N-[3-(1-phenylethoxy)propyl]butanamide
CID 119273581
2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 120666814
(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
ethyl 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]butanoate;hydrochloride
CID 119290928
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
(2R)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide
CID 103796033
(2R)-2-amino-N-(2-phenoxyethyl)-3-phenylpropanamide
CID 78984684
(2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide
CID 81433070
(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-3-phenylpropanamide
CID 106047732

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-N-[3-(1-phenylethoxy)propyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-phenyl-N-[3-(1-phenylethoxy)propyl]propanamide;hydrochloride (CID 119273566) is 2-amino-3-phenyl-N-[3-(1-phenylethoxy)propyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-phenyl-N-[3-(1-phenylethoxy)propyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-phenyl-N-[3-(1-phenylethoxy)propyl]propanamide;hydrochloride is CC(OCCCNC(=O)C(N)Cc1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 2-amino-3-phenyl-N-[3-(1-phenylethoxy)propyl]propanamide;hydrochloride?
The InChIKey is OVKXBIZJINLSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-16(18-11-6-3-7-12-18)24-14-8-13-22-20(23)19(21)15-17-9-4-2-5-10-17;/h2-7,9-12,16,19H,8,13-15,21H2,1H3,(H,22,23);1H.
What are the key properties of 2-amino-3-phenyl-N-[3-(1-phenylethoxy)propyl]propanamide;hydrochloride?
2-amino-3-phenyl-N-[3-(1-phenylethoxy)propyl]propanamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-N-[3-(1-phenylethoxy)propyl]propanamide;hydrochloride is sourced from PubChem (CID 119273566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).