3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide

C16H26N2O3 — CID 60980754

IUPAC3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide
SMILESCOCCCN(CCOC)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C16H26N2O3/c1-20-11-6-9-18(10-12-21-2)16(19)13-15(17)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13,17H2,1-2H3
InChIKeyXMCJYPFCUSRTGF-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.59
Rot. Bonds10

About 3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide

3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide (PubChem CID 60980754) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide
PubChem CID60980754
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide
SMILESCOCCCN(CCOC)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C16H26N2O3/c1-20-11-6-9-18(10-12-21-2)16(19)13-15(17)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13,17H2,1-2H3
InChIKeyXMCJYPFCUSRTGF-UHFFFAOYSA-N
XLogP1.59
TPSA64.79 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 ≤ 51.59
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide (CID 60980754) is 3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide is COCCCN(CCOC)C(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide?
The InChIKey is XMCJYPFCUSRTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-20-11-6-9-18(10-12-21-2)16(19)13-15(17)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13,17H2,1-2H3.
What are the key properties of 3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide?
3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide has a molecular weight of 294.39 g/mol, XLogP of 1.59, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide is sourced from PubChem (CID 60980754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).