N-methyl-2-(2-phenylethoxy)-N-propylacetamide

C14H21NO2 — CID 86872280

IUPACN-methyl-2-(2-phenylethoxy)-N-propylacetamide
SMILESCCCN(C)C(=O)COCCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-3-10-15(2)14(16)12-17-11-9-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
InChIKeyHBDQNWDPNGJMDO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.11
Rot. Bonds7

About N-methyl-2-(2-phenylethoxy)-N-propylacetamide

N-methyl-2-(2-phenylethoxy)-N-propylacetamide (PubChem CID 86872280) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-methyl-2-(2-phenylethoxy)-N-propylacetamide.

Molecular Properties

Compound NameN-methyl-2-(2-phenylethoxy)-N-propylacetamide
PubChem CID86872280
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-methyl-2-(2-phenylethoxy)-N-propylacetamide
SMILESCCCN(C)C(=O)COCCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-3-10-15(2)14(16)12-17-11-9-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
InChIKeyHBDQNWDPNGJMDO-UHFFFAOYSA-N
XLogP2.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Triethylamine, 2-(phenethyloxy)-
CID 213755
Ethylamine, N,N-dimethyl-2-(phenethyloxy)-
CID 33467
Triethylamine, 1,1'-dimethyl-2''-(phenethyloxy)-
CID 213756
1-[(2S)-2-(benzyloxy)propanoyl]pyrrolidine
CID 10879038
1-(4-Benzylpiperidin-1-yl)-2-ethoxyethanone
CID 2163066
N-benzyl-2-ethoxy-N-ethylacetamide
CID 2162886
Acetamide, N-(2-ethoxyethyl)-N-phenethyl-
CID 48100
Propionic acid, 2-methyl-2-(phenethyloxy)-, 2-(diethylamino)ethyl ester, monohydrochloride
CID 121112
Triethylamine, 2-((p-methylphenethyl)oxy)-
CID 213370
Triethylamine, 2-(3-phenylpropoxy)-
CID 213371
Acetamide, N-(2-butoxyethyl)-N-phenethyl-
CID 3050602
N-methyl-N-(2-morpholin-4-ylethyl)-4-(2-phenylethoxy)butanamide
CID 53567384

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-phenylethoxy)-N-propylacetamide?
The IUPAC name of N-methyl-2-(2-phenylethoxy)-N-propylacetamide (CID 86872280) is N-methyl-2-(2-phenylethoxy)-N-propylacetamide.
What is the SMILES notation for N-methyl-2-(2-phenylethoxy)-N-propylacetamide?
The canonical SMILES for N-methyl-2-(2-phenylethoxy)-N-propylacetamide is CCCN(C)C(=O)COCCc1ccccc1.
What is the InChIKey of N-methyl-2-(2-phenylethoxy)-N-propylacetamide?
The InChIKey is HBDQNWDPNGJMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-10-15(2)14(16)12-17-11-9-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3.
What are the key properties of N-methyl-2-(2-phenylethoxy)-N-propylacetamide?
N-methyl-2-(2-phenylethoxy)-N-propylacetamide has a molecular weight of 235.33 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-phenylethoxy)-N-propylacetamide is sourced from PubChem (CID 86872280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).