N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)butanamide

C16H25NO4 — CID 91123372

IUPACN-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)butanamide
SMILESCOC(CNC(=O)CC(C)OCCc1ccccc1)OC
InChIInChI=1S/C16H25NO4/c1-13(11-15(18)17-12-16(19-2)20-3)21-10-9-14-7-5-4-6-8-14/h4-8,13,16H,9-12H2,1-3H3,(H,17,18)
InChIKeyHMMJTJGGCBHODZ-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.76
Rot. Bonds10

About N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)butanamide

N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)butanamide (PubChem CID 91123372) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)butanamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)butanamide
PubChem CID91123372
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC NameN-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)butanamide
SMILESCOC(CNC(=O)CC(C)OCCc1ccccc1)OC
InChIInChI=1S/C16H25NO4/c1-13(11-15(18)17-12-16(19-2)20-3)21-10-9-14-7-5-4-6-8-14/h4-8,13,16H,9-12H2,1-3H3,(H,17,18)
InChIKeyHMMJTJGGCBHODZ-UHFFFAOYSA-N
XLogP1.76
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)butanamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)butanamide (CID 91123372) is N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)butanamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)butanamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)butanamide is COC(CNC(=O)CC(C)OCCc1ccccc1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)butanamide?
The InChIKey is HMMJTJGGCBHODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-13(11-15(18)17-12-16(19-2)20-3)21-10-9-14-7-5-4-6-8-14/h4-8,13,16H,9-12H2,1-3H3,(H,17,18).
What are the key properties of N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)butanamide?
N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)butanamide has a molecular weight of 295.38 g/mol, XLogP of 1.76, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)butanamide is sourced from PubChem (CID 91123372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).