N-[3-(dimethylamino)propyl]-2-(3-propoxyphenoxy)acetamide

C16H26N2O3 — CID 4733113

IUPACN-[3-(dimethylamino)propyl]-2-(3-propoxyphenoxy)acetamide
SMILESCCCOc1cccc(OCC(=O)NCCCN(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-4-11-20-14-7-5-8-15(12-14)21-13-16(19)17-9-6-10-18(2)3/h5,7-8,12H,4,6,9-11,13H2,1-3H3,(H,17,19)
InChIKeyUHJHLXNYGFXEFX-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.92
Rot. Bonds10

About N-[3-(dimethylamino)propyl]-2-(3-propoxyphenoxy)acetamide

N-[3-(dimethylamino)propyl]-2-(3-propoxyphenoxy)acetamide (PubChem CID 4733113) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(3-propoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(3-propoxyphenoxy)acetamide
PubChem CID4733113
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-[3-(dimethylamino)propyl]-2-(3-propoxyphenoxy)acetamide
SMILESCCCOc1cccc(OCC(=O)NCCCN(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-4-11-20-14-7-5-8-15(12-14)21-13-16(19)17-9-6-10-18(2)3/h5,7-8,12H,4,6,9-11,13H2,1-3H3,(H,17,19)
InChIKeyUHJHLXNYGFXEFX-UHFFFAOYSA-N
XLogP1.92
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(3-ethoxyphenoxy)acetamide
CID 112977682
2-(3-butoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 4733178
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-ethyl-2-(3-pentoxyphenoxy)acetamide
CID 4733263
2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide
CID 82950283
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide
CID 110486942
3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine
CID 2993413
2-(3-chlorophenoxy)-N-hexylacetamide
CID 19168602
2-(4-chloro-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide
CID 2268369

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(3-propoxyphenoxy)acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(3-propoxyphenoxy)acetamide (CID 4733113) is N-[3-(dimethylamino)propyl]-2-(3-propoxyphenoxy)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(3-propoxyphenoxy)acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(3-propoxyphenoxy)acetamide is CCCOc1cccc(OCC(=O)NCCCN(C)C)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(3-propoxyphenoxy)acetamide?
The InChIKey is UHJHLXNYGFXEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-11-20-14-7-5-8-15(12-14)21-13-16(19)17-9-6-10-18(2)3/h5,7-8,12H,4,6,9-11,13H2,1-3H3,(H,17,19).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(3-propoxyphenoxy)acetamide?
N-[3-(dimethylamino)propyl]-2-(3-propoxyphenoxy)acetamide has a molecular weight of 294.39 g/mol, XLogP of 1.92, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(3-propoxyphenoxy)acetamide is sourced from PubChem (CID 4733113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).