2-[(4-hydroxyoxan-4-yl)methylamino]-N-pentan-2-ylacetamide

C13H26N2O3 — CID 81130965

IUPAC2-[(4-hydroxyoxan-4-yl)methylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNCC1(O)CCOCC1
InChIInChI=1S/C13H26N2O3/c1-3-4-11(2)15-12(16)9-14-10-13(17)5-7-18-8-6-13/h11,14,17H,3-10H2,1-2H3,(H,15,16)
InChIKeyIPEPHTSMGDISEU-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.42
Rot. Bonds7

About 2-[(4-hydroxyoxan-4-yl)methylamino]-N-pentan-2-ylacetamide

2-[(4-hydroxyoxan-4-yl)methylamino]-N-pentan-2-ylacetamide (PubChem CID 81130965) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[(4-hydroxyoxan-4-yl)methylamino]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-hydroxyoxan-4-yl)methylamino]-N-pentan-2-ylacetamide
PubChem CID81130965
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[(4-hydroxyoxan-4-yl)methylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNCC1(O)CCOCC1
InChIInChI=1S/C13H26N2O3/c1-3-4-11(2)15-12(16)9-14-10-13(17)5-7-18-8-6-13/h11,14,17H,3-10H2,1-2H3,(H,15,16)
InChIKeyIPEPHTSMGDISEU-UHFFFAOYSA-N
XLogP0.42
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[(4-hydroxyoxan-4-yl)methylamino]acetamide
CID 81131141
2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylacetamide
CID 113233848
2-(2-morpholin-4-ylethylamino)-N-pentan-2-ylacetamide
CID 60687135
2-[(4-hydroxyoxan-4-yl)methylamino]acetamide
CID 81130797
2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 81130287
2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methylphenyl)acetamide
CID 81130530
4-[(2-methylidenebutylamino)methyl]oxan-4-ol
CID 81131211
N-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 81130209
2-[1-(oxan-4-yl)ethylamino]-N-pentan-2-ylacetamide
CID 103914830
N-ethyl-2-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]acetamide
CID 60695403
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide
CID 81131323
N-butyl-2-[(4-hydroxyoxan-4-yl)methylamino]propanamide
CID 81131394

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyoxan-4-yl)methylamino]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[(4-hydroxyoxan-4-yl)methylamino]-N-pentan-2-ylacetamide (CID 81130965) is 2-[(4-hydroxyoxan-4-yl)methylamino]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[(4-hydroxyoxan-4-yl)methylamino]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[(4-hydroxyoxan-4-yl)methylamino]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CNCC1(O)CCOCC1.
What is the InChIKey of 2-[(4-hydroxyoxan-4-yl)methylamino]-N-pentan-2-ylacetamide?
The InChIKey is IPEPHTSMGDISEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-4-11(2)15-12(16)9-14-10-13(17)5-7-18-8-6-13/h11,14,17H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 2-[(4-hydroxyoxan-4-yl)methylamino]-N-pentan-2-ylacetamide?
2-[(4-hydroxyoxan-4-yl)methylamino]-N-pentan-2-ylacetamide has a molecular weight of 258.36 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyoxan-4-yl)methylamino]-N-pentan-2-ylacetamide is sourced from PubChem (CID 81130965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).