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

C13H26N2O3 — CID 113233848

IUPAC2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNC1(CO)CCOCC1
InChIInChI=1S/C13H26N2O3/c1-3-4-11(2)15-12(17)9-14-13(10-16)5-7-18-8-6-13/h11,14,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyIRNDWUAORDCKLF-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.42
Rot. Bonds7

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

2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylacetamide (PubChem CID 113233848) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylacetamide
PubChem CID113233848
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNC1(CO)CCOCC1
InChIInChI=1S/C13H26N2O3/c1-3-4-11(2)15-12(17)9-14-13(10-16)5-7-18-8-6-13/h11,14,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyIRNDWUAORDCKLF-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-[[1-(hydroxymethyl)cyclohexyl]amino]acetamide
CID 62522420
2-[(4-hydroxyoxan-4-yl)methylamino]-N-pentan-2-ylacetamide
CID 81130965
3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanamide
CID 106297544
2-[1-(oxan-4-yl)ethylamino]-N-pentan-2-ylacetamide
CID 103914830
3-amino-N-[4-(hydroxymethyl)oxan-4-yl]hexanamide
CID 114170265
N-butan-2-yl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide
CID 106297661
2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide
CID 106297841
2-(2-morpholin-4-ylethylamino)-N-pentan-2-ylacetamide
CID 60687135
3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol
CID 103878575
N-butan-2-yl-2-[(4-hydroxyoxan-4-yl)methylamino]acetamide
CID 81131141
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 106297187
2-[4-(3-methylhexanoylamino)oxan-4-yl]acetic acid
CID 119215184

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylacetamide (CID 113233848) is 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CNC1(CO)CCOCC1.
What is the InChIKey of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylacetamide?
The InChIKey is IRNDWUAORDCKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-4-11(2)15-12(17)9-14-13(10-16)5-7-18-8-6-13/h11,14,16H,3-10H2,1-2H3,(H,15,17).
What are the key properties of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylacetamide?
2-[[4-(hydroxymethyl)oxan-4-yl]amino]-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-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylacetamide is sourced from PubChem (CID 113233848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).