2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(3-methoxypropyl)propanamide

C13H26N2O4 — CID 106297608

IUPAC2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NC1(CO)CCOCC1
InChIInChI=1S/C13H26N2O4/c1-11(12(17)14-6-3-7-18-2)15-13(10-16)4-8-19-9-5-13/h11,15-16H,3-10H2,1-2H3,(H,14,17)
InChIKeyWPQFSYOFISSGIA-UHFFFAOYSA-N
MW274.36 g/mol
LogP-0.34
Rot. Bonds8

About 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(3-methoxypropyl)propanamide

2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(3-methoxypropyl)propanamide (PubChem CID 106297608) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(3-methoxypropyl)propanamide
PubChem CID106297608
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NC1(CO)CCOCC1
InChIInChI=1S/C13H26N2O4/c1-11(12(17)14-6-3-7-18-2)15-13(10-16)4-8-19-9-5-13/h11,15-16H,3-10H2,1-2H3,(H,14,17)
InChIKeyWPQFSYOFISSGIA-UHFFFAOYSA-N
XLogP-0.34
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(3-methoxypropyl)propanamide (CID 106297608) is 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)NC1(CO)CCOCC1.
What is the InChIKey of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(3-methoxypropyl)propanamide?
The InChIKey is WPQFSYOFISSGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-11(12(17)14-6-3-7-18-2)15-13(10-16)4-8-19-9-5-13/h11,15-16H,3-10H2,1-2H3,(H,14,17).
What are the key properties of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(3-methoxypropyl)propanamide?
2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(3-methoxypropyl)propanamide has a molecular weight of 274.36 g/mol, XLogP of -0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 106297608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).