2-(2,2-dimethoxyethylamino)-N-(2-phenylethyl)acetamide;hydrochloride

C14H23ClN2O3 — CID 46224006

IUPAC2-(2,2-dimethoxyethylamino)-N-(2-phenylethyl)acetamide;hydrochloride
SMILESCOC(CNCC(=O)NCCc1ccccc1)OC.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-18-14(19-2)11-15-10-13(17)16-9-8-12-6-4-3-5-7-12;/h3-7,14-15H,8-11H2,1-2H3,(H,16,17);1H
InChIKeyNVPWYOJPRJWWJB-UHFFFAOYSA-N
MW302.80 g/mol
LogP0.98
Rot. Bonds9

About 2-(2,2-dimethoxyethylamino)-N-(2-phenylethyl)acetamide;hydrochloride

2-(2,2-dimethoxyethylamino)-N-(2-phenylethyl)acetamide;hydrochloride (PubChem CID 46224006) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethylamino)-N-(2-phenylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2,2-dimethoxyethylamino)-N-(2-phenylethyl)acetamide;hydrochloride
PubChem CID46224006
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC Name2-(2,2-dimethoxyethylamino)-N-(2-phenylethyl)acetamide;hydrochloride
SMILESCOC(CNCC(=O)NCCc1ccccc1)OC.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-18-14(19-2)11-15-10-13(17)16-9-8-12-6-4-3-5-7-12;/h3-7,14-15H,8-11H2,1-2H3,(H,16,17);1H
InChIKeyNVPWYOJPRJWWJB-UHFFFAOYSA-N
XLogP0.98
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-bromophenyl)ethyl]-2-(2,2-dimethoxyethylamino)acetamide;hydrochloride
CID 133061504
N-(2-phenylethyl)-2-(propylamino)acetamide
CID 54818782
(2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride
CID 119309731
2-(2-methoxypropylamino)-N-[2-(4-methylphenyl)ethyl]acetamide
CID 67967678
methyl 3-oxo-3-(2-phenylethylamino)propanoate
CID 15006667
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820
3-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride
CID 119309735
2-[[N-(2-methoxy-3,3-dimethylbutyl)-N'-methylcarbamimidoyl]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111710110
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)acetamide
CID 108993195
2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]-2-phenylpropanamide;hydrochloride
CID 120590847
N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethylamino)-N-(2-phenylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(2,2-dimethoxyethylamino)-N-(2-phenylethyl)acetamide;hydrochloride (CID 46224006) is 2-(2,2-dimethoxyethylamino)-N-(2-phenylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2,2-dimethoxyethylamino)-N-(2-phenylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2,2-dimethoxyethylamino)-N-(2-phenylethyl)acetamide;hydrochloride is COC(CNCC(=O)NCCc1ccccc1)OC.Cl.
What is the InChIKey of 2-(2,2-dimethoxyethylamino)-N-(2-phenylethyl)acetamide;hydrochloride?
The InChIKey is NVPWYOJPRJWWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3.ClH/c1-18-14(19-2)11-15-10-13(17)16-9-8-12-6-4-3-5-7-12;/h3-7,14-15H,8-11H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-(2,2-dimethoxyethylamino)-N-(2-phenylethyl)acetamide;hydrochloride?
2-(2,2-dimethoxyethylamino)-N-(2-phenylethyl)acetamide;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 0.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethylamino)-N-(2-phenylethyl)acetamide;hydrochloride is sourced from PubChem (CID 46224006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).