N-ethyl-N-(3-hydroxyphenyl)-2-propan-2-yloxyacetamide

C13H19NO3 — CID 107736354

IUPACN-ethyl-N-(3-hydroxyphenyl)-2-propan-2-yloxyacetamide
SMILESCCN(C(=O)COC(C)C)c1cccc(O)c1
InChIInChI=1S/C13H19NO3/c1-4-14(13(16)9-17-10(2)3)11-6-5-7-12(15)8-11/h5-8,10,15H,4,9H2,1-3H3
InChIKeyHBBITYLOQZQGRS-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.17
Rot. Bonds5

About N-ethyl-N-(3-hydroxyphenyl)-2-propan-2-yloxyacetamide

N-ethyl-N-(3-hydroxyphenyl)-2-propan-2-yloxyacetamide (PubChem CID 107736354) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxyphenyl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxyphenyl)-2-propan-2-yloxyacetamide
PubChem CID107736354
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-ethyl-N-(3-hydroxyphenyl)-2-propan-2-yloxyacetamide
SMILESCCN(C(=O)COC(C)C)c1cccc(O)c1
InChIInChI=1S/C13H19NO3/c1-4-14(13(16)9-17-10(2)3)11-6-5-7-12(15)8-11/h5-8,10,15H,4,9H2,1-3H3
InChIKeyHBBITYLOQZQGRS-UHFFFAOYSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
CID 107736260
propan-2-yl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734181
2-(2-aminoethoxy)-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734931
2-amino-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734970
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
N-ethyl-N,2-bis(3-hydroxyphenyl)acetamide
CID 107735678
methyl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734186
4-amino-N-ethyl-N-(3-hydroxyphenyl)-3-methoxybutanamide
CID 107735030
N-ethyl-2-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)acetamide
CID 107735690
ethyl 2-amino-3-(N-ethyl-3-hydroxyanilino)-3-oxopropanoate
CID 107735006
N-ethyl-N-(3-hydroxyphenyl)heptanamide
CID 107736474
4-(2-aminoethyl)-N-ethyl-N-(3-hydroxyphenyl)-5-methylhexanamide
CID 107734933

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxyphenyl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-ethyl-N-(3-hydroxyphenyl)-2-propan-2-yloxyacetamide (CID 107736354) is N-ethyl-N-(3-hydroxyphenyl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxyphenyl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-ethyl-N-(3-hydroxyphenyl)-2-propan-2-yloxyacetamide is CCN(C(=O)COC(C)C)c1cccc(O)c1.
What is the InChIKey of N-ethyl-N-(3-hydroxyphenyl)-2-propan-2-yloxyacetamide?
The InChIKey is HBBITYLOQZQGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-14(13(16)9-17-10(2)3)11-6-5-7-12(15)8-11/h5-8,10,15H,4,9H2,1-3H3.
What are the key properties of N-ethyl-N-(3-hydroxyphenyl)-2-propan-2-yloxyacetamide?
N-ethyl-N-(3-hydroxyphenyl)-2-propan-2-yloxyacetamide has a molecular weight of 237.30 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxyphenyl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 107736354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).