N-(1,3-dihydroxypropan-2-yl)-2-ethoxyacetamide

C7H15NO4 — CID 65314889

IUPACN-(1,3-dihydroxypropan-2-yl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC(CO)CO
InChIInChI=1S/C7H15NO4/c1-2-12-5-7(11)8-6(3-9)4-10/h6,9-10H,2-5H2,1H3,(H,8,11)
InChIKeyVFENLPMZRKXRQB-UHFFFAOYSA-N
MW177.20 g/mol
LogP-1.51
Rot. Bonds6

About N-(1,3-dihydroxypropan-2-yl)-2-ethoxyacetamide

N-(1,3-dihydroxypropan-2-yl)-2-ethoxyacetamide (PubChem CID 65314889) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2-ethoxyacetamide
PubChem CID65314889
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC(CO)CO
InChIInChI=1S/C7H15NO4/c1-2-12-5-7(11)8-6(3-9)4-10/h6,9-10H,2-5H2,1H3,(H,8,11)
InChIKeyVFENLPMZRKXRQB-UHFFFAOYSA-N
XLogP-1.51
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)propanamide
CID 20616556
2-ethoxy-N-(4-hydroxybutan-2-yl)acetamide
CID 81050051
N-(1,3-diethoxypropan-2-yl)-2-[2-[2-(1,3-diethoxypropan-2-ylamino)-2-oxoethoxy]ethoxy]acetamide
CID 21337734
N-[(2R)-1-hydroxybutan-2-yl]-2-(2-methoxyethoxy)acetamide
CID 103920046
ethene;2-ethoxy-N-methylacetamide
CID 123508760
2-ethoxy-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184517
2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103944946
4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide
CID 112728067
N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyacetamide
CID 103920021
N-(1-hydroxybutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603120
2-ethoxy-N-(4,4,4-trifluorobutan-2-yl)acetamide
CID 104854854
N-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide
CID 102041361

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-ethoxyacetamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-ethoxyacetamide (CID 65314889) is N-(1,3-dihydroxypropan-2-yl)-2-ethoxyacetamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2-ethoxyacetamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2-ethoxyacetamide is CCOCC(=O)NC(CO)CO.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2-ethoxyacetamide?
The InChIKey is VFENLPMZRKXRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-2-12-5-7(11)8-6(3-9)4-10/h6,9-10H,2-5H2,1H3,(H,8,11).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2-ethoxyacetamide?
N-(1,3-dihydroxypropan-2-yl)-2-ethoxyacetamide has a molecular weight of 177.20 g/mol, XLogP of -1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-2-ethoxyacetamide is sourced from PubChem (CID 65314889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).