2-(dimethylamino)-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(propan-2-ylcarbamoylamino)ethyl]oxan-3-yl]acetamide

C16H32N4O4 — CID 54641078

IUPAC2-(dimethylamino)-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(propan-2-ylcarbamoylamino)ethyl]oxan-3-yl]acetamide
SMILESCC(C)NC(=O)NCC[C@@H]1CC[C@@H](NC(=O)CN(C)C)[C@@H](CO)O1
InChIInChI=1S/C16H32N4O4/c1-11(2)18-16(23)17-8-7-12-5-6-13(14(10-21)24-12)19-15(22)9-20(3)4/h11-14,21H,5-10H2,1-4H3,(H,19,22)(H2,17,18,23)/t12-,13+,14+/m0/s1
InChIKeyFRJVFPJDQFXUHI-BFHYXJOUSA-N
MW344.46 g/mol
LogP-0.33
Rot. Bonds8

About 2-(dimethylamino)-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(propan-2-ylcarbamoylamino)ethyl]oxan-3-yl]acetamide

2-(dimethylamino)-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(propan-2-ylcarbamoylamino)ethyl]oxan-3-yl]acetamide (PubChem CID 54641078) has the molecular formula C16H32N4O4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(propan-2-ylcarbamoylamino)ethyl]oxan-3-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(propan-2-ylcarbamoylamino)ethyl]oxan-3-yl]acetamide
PubChem CID54641078
Molecular FormulaC16H32N4O4
Molecular Weight344.46 g/mol
Exact Mass344.24
IUPAC Name2-(dimethylamino)-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(propan-2-ylcarbamoylamino)ethyl]oxan-3-yl]acetamide
SMILESCC(C)NC(=O)NCC[C@@H]1CC[C@@H](NC(=O)CN(C)C)[C@@H](CO)O1
InChIInChI=1S/C16H32N4O4/c1-11(2)18-16(23)17-8-7-12-5-6-13(14(10-21)24-12)19-15(22)9-20(3)4/h11-14,21H,5-10H2,1-4H3,(H,19,22)(H2,17,18,23)/t12-,13+,14+/m0/s1
InChIKeyFRJVFPJDQFXUHI-BFHYXJOUSA-N
XLogP-0.33
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(propan-2-ylcarbamoylamino)ethyl]oxan-3-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(propan-2-ylcarbamoylamino)ethyl]oxan-3-yl]acetamide (CID 54641078) is 2-(dimethylamino)-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(propan-2-ylcarbamoylamino)ethyl]oxan-3-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(propan-2-ylcarbamoylamino)ethyl]oxan-3-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(propan-2-ylcarbamoylamino)ethyl]oxan-3-yl]acetamide is CC(C)NC(=O)NCC[C@@H]1CC[C@@H](NC(=O)CN(C)C)[C@@H](CO)O1.
What is the InChIKey of 2-(dimethylamino)-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(propan-2-ylcarbamoylamino)ethyl]oxan-3-yl]acetamide?
The InChIKey is FRJVFPJDQFXUHI-BFHYXJOUSA-N. The full InChI is InChI=1S/C16H32N4O4/c1-11(2)18-16(23)17-8-7-12-5-6-13(14(10-21)24-12)19-15(22)9-20(3)4/h11-14,21H,5-10H2,1-4H3,(H,19,22)(H2,17,18,23)/t12-,13+,14+/m0/s1.
What are the key properties of 2-(dimethylamino)-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(propan-2-ylcarbamoylamino)ethyl]oxan-3-yl]acetamide?
2-(dimethylamino)-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(propan-2-ylcarbamoylamino)ethyl]oxan-3-yl]acetamide has a molecular weight of 344.46 g/mol, XLogP of -0.33, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(propan-2-ylcarbamoylamino)ethyl]oxan-3-yl]acetamide is sourced from PubChem (CID 54641078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).