(2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride

C15H25ClN2O3 — CID 119289195

IUPAC(2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride
SMILESCCOCCOCc1cccc(CNC(=O)[C@@H](C)N)c1.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-3-19-7-8-20-11-14-6-4-5-13(9-14)10-17-15(18)12(2)16;/h4-6,9,12H,3,7-8,10-11,16H2,1-2H3,(H,17,18);1H/t12-;/m1./s1
InChIKeyKGUFTGTTYYVYJH-UTONKHPSSA-N
MW316.83 g/mol
LogP1.62
Rot. Bonds9

About (2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride

(2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride (PubChem CID 119289195) has the molecular formula C15H25ClN2O3 and a molecular weight of 316.83 g/mol. Its IUPAC name is (2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride
PubChem CID119289195
Molecular FormulaC15H25ClN2O3
Molecular Weight316.83 g/mol
Exact Mass316.16
IUPAC Name(2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride
SMILESCCOCCOCc1cccc(CNC(=O)[C@@H](C)N)c1.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-3-19-7-8-20-11-14-6-4-5-13(9-14)10-17-15(18)12(2)16;/h4-6,9,12H,3,7-8,10-11,16H2,1-2H3,(H,17,18);1H/t12-;/m1./s1
InChIKeyKGUFTGTTYYVYJH-UTONKHPSSA-N
XLogP1.62
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 51.62
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-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 119723077
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 55690197
2-(4-tert-butylphenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide
CID 55690103
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide
CID 39590517
2-(2,5-dichlorophenyl)sulfanyl-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide
CID 55838058
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide
CID 76868296
(2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286412
(2R)-2-(5-tert-butyltetrazol-1-yl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide
CID 97260054
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62445450
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286563
2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316
(2S)-2-amino-N-[3-(2-butoxyethoxymethyl)phenyl]propanamide;hydrochloride
CID 119306540

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride (CID 119289195) is (2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride is CCOCCOCc1cccc(CNC(=O)[C@@H](C)N)c1.Cl.
What is the InChIKey of (2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is KGUFTGTTYYVYJH-UTONKHPSSA-N. The full InChI is InChI=1S/C15H24N2O3.ClH/c1-3-19-7-8-20-11-14-6-4-5-13(9-14)10-17-15(18)12(2)16;/h4-6,9,12H,3,7-8,10-11,16H2,1-2H3,(H,17,18);1H/t12-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride?
(2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119289195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).