N-(2,2-dimethoxyethyl)-N-methyl-2-phenylacetamide

C13H19NO3 — CID 3423225

IUPACN-(2,2-dimethoxyethyl)-N-methyl-2-phenylacetamide
SMILESCOC(CN(C)C(=O)Cc1ccccc1)OC
InChIInChI=1S/C13H19NO3/c1-14(10-13(16-2)17-3)12(15)9-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3
InChIKeyJTVVIFFPZNRVRU-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.31
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-N-methyl-2-phenylacetamide

N-(2,2-dimethoxyethyl)-N-methyl-2-phenylacetamide (PubChem CID 3423225) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N-methyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N-methyl-2-phenylacetamide
PubChem CID3423225
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(2,2-dimethoxyethyl)-N-methyl-2-phenylacetamide
SMILESCOC(CN(C)C(=O)Cc1ccccc1)OC
InChIInChI=1S/C13H19NO3/c1-14(10-13(16-2)17-3)12(15)9-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3
InChIKeyJTVVIFFPZNRVRU-UHFFFAOYSA-N
XLogP1.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethyl-2-phenylacetamide
CID 17076
4-[(2,6-Dimethylphenyl)acetyl]morpholine
CID 839325
1-(Morpholin-4-yl)-3-phenylpropan-1-one
CID 532825
2-(3-Methylphenyl)-1-morpholin-4-ylethanone
CID 6470636
3-(6-Phenylhexanoyl) oxazolidin-2-one
CID 101746948
1-Morpholin-4-yl-2-phenylpropan-1-one
CID 11031349
2-(4-Fluorophenyl)-1-(morpholin-4-yl)ethan-1-one
CID 798469
2-(2-Methylphenyl)-1-morpholin-4-ylethanone
CID 6468639
Benzeneacetamide, N,N-bis(1-methylethyl)-
CID 118624
1-(Morpholin-4-yl)-4-phenylbutan-1-one
CID 288839
2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 2163005
2-[(2,2-dimethoxyethylamino)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
CID 44454863

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-N-methyl-2-phenylacetamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-N-methyl-2-phenylacetamide (CID 3423225) is N-(2,2-dimethoxyethyl)-N-methyl-2-phenylacetamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N-methyl-2-phenylacetamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N-methyl-2-phenylacetamide is COC(CN(C)C(=O)Cc1ccccc1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N-methyl-2-phenylacetamide?
The InChIKey is JTVVIFFPZNRVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-14(10-13(16-2)17-3)12(15)9-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3.
What are the key properties of N-(2,2-dimethoxyethyl)-N-methyl-2-phenylacetamide?
N-(2,2-dimethoxyethyl)-N-methyl-2-phenylacetamide has a molecular weight of 237.30 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N-methyl-2-phenylacetamide is sourced from PubChem (CID 3423225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).