N-[1-(3-hydroxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]-N-prop-2-enylacetamide

C14H27NO3 — CID 177240117

IUPACN-[1-(3-hydroxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]-N-prop-2-enylacetamide
SMILESC=CCN(C(C)=O)C(C)(C)COCC(C)(C)CO
InChIInChI=1S/C14H27NO3/c1-7-8-15(12(2)17)14(5,6)11-18-10-13(3,4)9-16/h7,16H,1,8-11H2,2-6H3
InChIKeyKZLGDVFYVNFVHH-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.83
Rot. Bonds8

About N-[1-(3-hydroxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]-N-prop-2-enylacetamide

N-[1-(3-hydroxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]-N-prop-2-enylacetamide (PubChem CID 177240117) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is N-[1-(3-hydroxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[1-(3-hydroxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]-N-prop-2-enylacetamide
PubChem CID177240117
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC NameN-[1-(3-hydroxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]-N-prop-2-enylacetamide
SMILESC=CCN(C(C)=O)C(C)(C)COCC(C)(C)CO
InChIInChI=1S/C14H27NO3/c1-7-8-15(12(2)17)14(5,6)11-18-10-13(3,4)9-16/h7,16H,1,8-11H2,2-6H3
InChIKeyKZLGDVFYVNFVHH-UHFFFAOYSA-N
XLogP1.83
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol
CID 14512536
N-prop-2-enyl-N-(trifluoromethyl)acetamide;silane
CID 174452092
3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropan-1-ol
CID 58571429
[3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropyl] 3-hydroxy-2,2-dimethylpropanoate
CID 21116186
3-ethoxy-2,2-dimethylpropan-1-ol
CID 12698285
[(E)-3-oxobut-1-enyl] N-tert-butyl-N-prop-2-enylcarbamate
CID 177106046
tert-butyl-(2-methyl-1-prop-2-enoxypropan-2-yl)carbamic acid
CID 87449231
2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;heptakis(prop-2-enoic acid)
CID 175143694
4-(3-hydroxy-2,2-dimethylpropoxy)carbonyloxybutyl prop-2-enoate
CID 141231799
2,2-bis(hydroxymethyl)propane-1,3-diol;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;hexakis(prop-2-enoic acid)
CID 175217671
2,2-dimethylpropane-1,3-diol;propanoic acid;bis(prop-2-enoic acid)
CID 162215044
N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]-N-prop-2-enylacetamide?
The IUPAC name of N-[1-(3-hydroxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]-N-prop-2-enylacetamide (CID 177240117) is N-[1-(3-hydroxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for N-[1-(3-hydroxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]-N-prop-2-enylacetamide?
The canonical SMILES for N-[1-(3-hydroxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]-N-prop-2-enylacetamide is C=CCN(C(C)=O)C(C)(C)COCC(C)(C)CO.
What is the InChIKey of N-[1-(3-hydroxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]-N-prop-2-enylacetamide?
The InChIKey is KZLGDVFYVNFVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-7-8-15(12(2)17)14(5,6)11-18-10-13(3,4)9-16/h7,16H,1,8-11H2,2-6H3.
What are the key properties of N-[1-(3-hydroxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]-N-prop-2-enylacetamide?
N-[1-(3-hydroxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]-N-prop-2-enylacetamide has a molecular weight of 257.37 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 177240117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).