2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide

C15H30N4O5 — CID 25390395

IUPAC2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)NCCN(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H30N4O5/c1-9(2)18-15(23)17-8-11-14(22)13(21)10(24-11)7-12(20)16-5-6-19(3)4/h9-11,13-14,21-22H,5-8H2,1-4H3,(H,16,20)(H2,17,18,23)/t10-,11+,13-,14+/m0/s1
InChIKeyRPUVBRNPJRMXLF-UZGDPCLZSA-N
MW346.43 g/mol
LogP-1.75
Rot. Bonds8

About 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide

2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 25390395) has the molecular formula C15H30N4O5 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID25390395
Molecular FormulaC15H30N4O5
Molecular Weight346.43 g/mol
Exact Mass346.22
IUPAC Name2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)NCCN(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H30N4O5/c1-9(2)18-15(23)17-8-11-14(22)13(21)10(24-11)7-12(20)16-5-6-19(3)4/h9-11,13-14,21-22H,5-8H2,1-4H3,(H,16,20)(H2,17,18,23)/t10-,11+,13-,14+/m0/s1
InChIKeyRPUVBRNPJRMXLF-UZGDPCLZSA-N
XLogP-1.75
TPSA123.16 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 5-1.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide (CID 25390395) is 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide is CC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)NCCN(C)C)[C@H](O)[C@@H]1O.
What is the InChIKey of 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is RPUVBRNPJRMXLF-UZGDPCLZSA-N. The full InChI is InChI=1S/C15H30N4O5/c1-9(2)18-15(23)17-8-11-14(22)13(21)10(24-11)7-12(20)16-5-6-19(3)4/h9-11,13-14,21-22H,5-8H2,1-4H3,(H,16,20)(H2,17,18,23)/t10-,11+,13-,14+/m0/s1.
What are the key properties of 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide?
2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 346.43 g/mol, XLogP of -1.75, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 25390395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).