ethene;N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide

C10H21NO4 — CID 91080675

IUPACethene;N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide
SMILESC=C.COCC(O)CN(COC)C(C)=O
InChIInChI=1S/C8H17NO4.C2H4/c1-7(10)9(6-13-3)4-8(11)5-12-2;1-2/h8,11H,4-6H2,1-3H3;1-2H2
InChIKeyRRHFJTREIIXATN-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.25
Rot. Bonds6

About ethene;N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide

ethene;N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide (PubChem CID 91080675) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethene;N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide.

Molecular Properties

Compound Nameethene;N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide
PubChem CID91080675
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Nameethene;N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide
SMILESC=C.COCC(O)CN(COC)C(C)=O
InChIInChI=1S/C8H17NO4.C2H4/c1-7(10)9(6-13-3)4-8(11)5-12-2;1-2/h8,11H,4-6H2,1-3H3;1-2H2
InChIKeyRRHFJTREIIXATN-UHFFFAOYSA-N
XLogP0.25
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide
CID 59873960
1-(2-hydroxy-3-methoxypropyl)-1-(3-methoxypropyl)urea
CID 163553522
5-[acetyl-(2-hydroxy-3-methoxypropyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
CID 154448235
acetic acid;3-methoxypropane-1,2-diol
CID 71422269
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanoic acid
CID 103224662
5-hydroxy-6-methoxy-2-methylhex-1-en-3-one
CID 90779314
2-[(2-hydroxy-3-methoxypropyl)-propan-2-ylamino]acetic acid
CID 63931350
2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylpropanamide
CID 81089598
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
1-[(2-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one
CID 62041400
N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N,2-dimethylpropanamide
CID 103747204
N-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide
CID 106741532

Frequently Asked Questions

What is the IUPAC name of ethene;N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide?
The IUPAC name of ethene;N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide (CID 91080675) is ethene;N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide.
What is the SMILES notation for ethene;N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide?
The canonical SMILES for ethene;N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide is C=C.COCC(O)CN(COC)C(C)=O.
What is the InChIKey of ethene;N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide?
The InChIKey is RRHFJTREIIXATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4.C2H4/c1-7(10)9(6-13-3)4-8(11)5-12-2;1-2/h8,11H,4-6H2,1-3H3;1-2H2.
What are the key properties of ethene;N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide?
ethene;N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide has a molecular weight of 219.28 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide is sourced from PubChem (CID 91080675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).