2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylpropanamide

C14H28N2O3 — CID 106297462

IUPAC2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NC1(CO)CCOCC1
InChIInChI=1S/C14H28N2O3/c1-4-5-11(2)15-13(18)12(3)16-14(10-17)6-8-19-9-7-14/h11-12,16-17H,4-10H2,1-3H3,(H,15,18)
InChIKeyCQASDEAEHSBZPC-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.81
Rot. Bonds7

About 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylpropanamide

2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylpropanamide (PubChem CID 106297462) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylpropanamide
PubChem CID106297462
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NC1(CO)CCOCC1
InChIInChI=1S/C14H28N2O3/c1-4-5-11(2)15-13(18)12(3)16-14(10-17)6-8-19-9-7-14/h11-12,16-17H,4-10H2,1-3H3,(H,15,18)
InChIKeyCQASDEAEHSBZPC-UHFFFAOYSA-N
XLogP0.81
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylpropanamide (CID 106297462) is 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)NC1(CO)CCOCC1.
What is the InChIKey of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylpropanamide?
The InChIKey is CQASDEAEHSBZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-4-5-11(2)15-13(18)12(3)16-14(10-17)6-8-19-9-7-14/h11-12,16-17H,4-10H2,1-3H3,(H,15,18).
What are the key properties of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylpropanamide?
2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylpropanamide has a molecular weight of 272.39 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 106297462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).