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

C8H17NO4 — CID 59873960

IUPACN-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide
SMILESCOCC(O)CN(COC)C(C)=O
InChIInChI=1S/C8H17NO4/c1-7(10)9(6-13-3)4-8(11)5-12-2/h8,11H,4-6H2,1-3H3
InChIKeyLKCFIMUTISPOTL-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.55
Rot. Bonds6

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

N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide (PubChem CID 59873960) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide
PubChem CID59873960
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide
SMILESCOCC(O)CN(COC)C(C)=O
InChIInChI=1S/C8H17NO4/c1-7(10)9(6-13-3)4-8(11)5-12-2/h8,11H,4-6H2,1-3H3
InChIKeyLKCFIMUTISPOTL-UHFFFAOYSA-N
XLogP-0.55
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethene;N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide
CID 91080675
1-(2-hydroxy-3-methoxypropyl)-1-(3-methoxypropyl)urea
CID 163553522
acetic acid;3-methoxypropane-1,2-diol
CID 71422269
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanoic acid
CID 103224662
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
5-[acetyl-(2-hydroxy-3-methoxypropyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
CID 154448235
N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N,2-dimethylpropanamide
CID 103747204
1-[(2-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one
CID 62041400
N-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide
CID 106741532
N-acetyl-N-(methoxymethyl)acetamide
CID 91032025
3,4-dihydroxy-5-methoxypentan-2-one
CID 126497812

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide (CID 59873960) is N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide is COCC(O)CN(COC)C(C)=O.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide?
The InChIKey is LKCFIMUTISPOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-7(10)9(6-13-3)4-8(11)5-12-2/h8,11H,4-6H2,1-3H3.
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide?
N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide has a molecular weight of 191.23 g/mol, XLogP of -0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-N-(methoxymethyl)acetamide is sourced from PubChem (CID 59873960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).