ethane;N-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-2-(2-methylprop-2-enylamino)acetamide

C18H38N2O4 — CID 155734916

IUPACethane;N-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-2-(2-methylprop-2-enylamino)acetamide
SMILESC=C(C)CNCC(=O)NCCOC1O[C@@H](C)CCC1O.CC.CC
InChIInChI=1S/C14H26N2O4.2C2H6/c1-10(2)8-15-9-13(18)16-6-7-19-14-12(17)5-4-11(3)20-14;2*1-2/h11-12,14-15,17H,1,4-9H2,2-3H3,(H,16,18);2*1-2H3/t11-,12?,14?;;/m0../s1
InChIKeyNZUXYXSMFWOXHJ-RRUCSRDBSA-N
MW346.51 g/mol
LogP2.22
Rot. Bonds8

About ethane;N-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-2-(2-methylprop-2-enylamino)acetamide

ethane;N-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-2-(2-methylprop-2-enylamino)acetamide (PubChem CID 155734916) has the molecular formula C18H38N2O4 and a molecular weight of 346.51 g/mol. Its IUPAC name is ethane;N-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-2-(2-methylprop-2-enylamino)acetamide.

Molecular Properties

Compound Nameethane;N-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-2-(2-methylprop-2-enylamino)acetamide
PubChem CID155734916
Molecular FormulaC18H38N2O4
Molecular Weight346.51 g/mol
Exact Mass346.28
IUPAC Nameethane;N-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-2-(2-methylprop-2-enylamino)acetamide
SMILESC=C(C)CNCC(=O)NCCOC1O[C@@H](C)CCC1O.CC.CC
InChIInChI=1S/C14H26N2O4.2C2H6/c1-10(2)8-15-9-13(18)16-6-7-19-14-12(17)5-4-11(3)20-14;2*1-2/h11-12,14-15,17H,1,4-9H2,2-3H3,(H,16,18);2*1-2H3/t11-,12?,14?;;/m0../s1
InChIKeyNZUXYXSMFWOXHJ-RRUCSRDBSA-N
XLogP2.22
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-2-(2-methylprop-2-enylamino)acetamide?
The IUPAC name of ethane;N-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-2-(2-methylprop-2-enylamino)acetamide (CID 155734916) is ethane;N-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-2-(2-methylprop-2-enylamino)acetamide.
What is the SMILES notation for ethane;N-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-2-(2-methylprop-2-enylamino)acetamide?
The canonical SMILES for ethane;N-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-2-(2-methylprop-2-enylamino)acetamide is C=C(C)CNCC(=O)NCCOC1O[C@@H](C)CCC1O.CC.CC.
What is the InChIKey of ethane;N-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-2-(2-methylprop-2-enylamino)acetamide?
The InChIKey is NZUXYXSMFWOXHJ-RRUCSRDBSA-N. The full InChI is InChI=1S/C14H26N2O4.2C2H6/c1-10(2)8-15-9-13(18)16-6-7-19-14-12(17)5-4-11(3)20-14;2*1-2/h11-12,14-15,17H,1,4-9H2,2-3H3,(H,16,18);2*1-2H3/t11-,12?,14?;;/m0../s1.
What are the key properties of ethane;N-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-2-(2-methylprop-2-enylamino)acetamide?
ethane;N-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-2-(2-methylprop-2-enylamino)acetamide has a molecular weight of 346.51 g/mol, XLogP of 2.22, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-2-(2-methylprop-2-enylamino)acetamide is sourced from PubChem (CID 155734916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).