3-amino-N-methyl-N-(2-phenylmethoxyethyl)butanamide;hydrochloride

C14H23ClN2O2 — CID 119821461

IUPAC3-amino-N-methyl-N-(2-phenylmethoxyethyl)butanamide;hydrochloride
SMILESCC(N)CC(=O)N(C)CCOCc1ccccc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-12(15)10-14(17)16(2)8-9-18-11-13-6-4-3-5-7-13;/h3-7,12H,8-11,15H2,1-2H3;1H
InChIKeyLBOOTARLWMFRLS-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.82
Rot. Bonds7

About 3-amino-N-methyl-N-(2-phenylmethoxyethyl)butanamide;hydrochloride

3-amino-N-methyl-N-(2-phenylmethoxyethyl)butanamide;hydrochloride (PubChem CID 119821461) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(2-phenylmethoxyethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-(2-phenylmethoxyethyl)butanamide;hydrochloride
PubChem CID119821461
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name3-amino-N-methyl-N-(2-phenylmethoxyethyl)butanamide;hydrochloride
SMILESCC(N)CC(=O)N(C)CCOCc1ccccc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-12(15)10-14(17)16(2)8-9-18-11-13-6-4-3-5-7-13;/h3-7,12H,8-11,15H2,1-2H3;1H
InChIKeyLBOOTARLWMFRLS-UHFFFAOYSA-N
XLogP1.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.82
H-Bond Donors ≤ 51
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-methyl-2-phenyl-N-(2-phenylmethoxyethyl)acetamide
CID 119345164
2-methoxy-N-methyl-N-(2-phenylmethoxyethyl)acetamide
CID 130767377
2-amino-N-methyl-2-(4-methylphenyl)-N-(2-phenylmethoxyethyl)acetamide;hydrochloride
CID 120669222
2-[methyl(2-phenylmethoxyethyl)amino]propanamide
CID 130767373
N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119821443
2-formamido-N-methyl-N-(2-phenylmethoxyethyl)acetamide
CID 165133243
N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide
CID 119821444
benzyl (2R)-2-[2-[2-(2-methoxyethoxymethoxy)ethyl-methylamino]-2-oxoethyl]-4-methylpentanoate
CID 54439717
benzyl (2R)-2-benzyl-4-[2-(2-methoxyethoxymethoxy)ethyl-methylamino]-4-oxobutanoate
CID 15016683
3-amino-N-benzyl-N-propylbutanamide;hydrochloride
CID 119681635
3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide
CID 115154426
4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride
CID 120561833

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(2-phenylmethoxyethyl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-methyl-N-(2-phenylmethoxyethyl)butanamide;hydrochloride (CID 119821461) is 3-amino-N-methyl-N-(2-phenylmethoxyethyl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-(2-phenylmethoxyethyl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-(2-phenylmethoxyethyl)butanamide;hydrochloride is CC(N)CC(=O)N(C)CCOCc1ccccc1.Cl.
What is the InChIKey of 3-amino-N-methyl-N-(2-phenylmethoxyethyl)butanamide;hydrochloride?
The InChIKey is LBOOTARLWMFRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-12(15)10-14(17)16(2)8-9-18-11-13-6-4-3-5-7-13;/h3-7,12H,8-11,15H2,1-2H3;1H.
What are the key properties of 3-amino-N-methyl-N-(2-phenylmethoxyethyl)butanamide;hydrochloride?
3-amino-N-methyl-N-(2-phenylmethoxyethyl)butanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(2-phenylmethoxyethyl)butanamide;hydrochloride is sourced from PubChem (CID 119821461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).