N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide

C15H26N2O4 — CID 53382644

IUPACN-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide
SMILESCN(C)C(=O)C[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1
InChIInChI=1S/C15H26N2O4/c1-17(2)14(19)8-11-6-7-12(13(9-18)21-11)16-15(20)10-4-3-5-10/h10-13,18H,3-9H2,1-2H3,(H,16,20)/t11-,12+,13+/m0/s1
InChIKeyDBUZFGOBJIXBOM-YNEHKIRRSA-N
MW298.38 g/mol
LogP0.29
Rot. Bonds5

About N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide

N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide (PubChem CID 53382644) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide
PubChem CID53382644
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC NameN-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide
SMILESCN(C)C(=O)C[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1
InChIInChI=1S/C15H26N2O4/c1-17(2)14(19)8-11-6-7-12(13(9-18)21-11)16-15(20)10-4-3-5-10/h10-13,18H,3-9H2,1-2H3,(H,16,20)/t11-,12+,13+/m0/s1
InChIKeyDBUZFGOBJIXBOM-YNEHKIRRSA-N
XLogP0.29
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide (CID 53382644) is N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide is CN(C)C(=O)C[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1.
What is the InChIKey of N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide?
The InChIKey is DBUZFGOBJIXBOM-YNEHKIRRSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-17(2)14(19)8-11-6-7-12(13(9-18)21-11)16-15(20)10-4-3-5-10/h10-13,18H,3-9H2,1-2H3,(H,16,20)/t11-,12+,13+/m0/s1.
What are the key properties of N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide?
N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide has a molecular weight of 298.38 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 53382644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).