N-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide

C13H19NO3 — CID 112688965

IUPACN-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NC(C)c1cccc(O)c1
InChIInChI=1S/C13H19NO3/c1-9(2)17-8-13(16)14-10(3)11-5-4-6-12(15)7-11/h4-7,9-10,15H,8H2,1-3H3,(H,14,16)
InChIKeyAUAFDFJNZCGCLF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.99
Rot. Bonds5

About N-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide

N-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide (PubChem CID 112688965) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide
PubChem CID112688965
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NC(C)c1cccc(O)c1
InChIInChI=1S/C13H19NO3/c1-9(2)17-8-13(16)14-10(3)11-5-4-6-12(15)7-11/h4-7,9-10,15H,8H2,1-3H3,(H,14,16)
InChIKeyAUAFDFJNZCGCLF-UHFFFAOYSA-N
XLogP1.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propan-2-yloxypropanamide
CID 95282952
2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 79473809
3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
CID 60837485
3-[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 99797134
2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 54925343
[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 130686101
tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate
CID 56955758
3-[1-(3-propan-2-yloxypropylamino)ethyl]phenol
CID 43207421
(2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
CID 79025425
1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propylurea
CID 95239729
2-(1-aminocyclohexyl)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 64684603
1-(3-hydroxyphenyl)-2-propan-2-yloxyethanone
CID 115019757

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide (CID 112688965) is N-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NC(C)c1cccc(O)c1.
What is the InChIKey of N-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide?
The InChIKey is AUAFDFJNZCGCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)17-8-13(16)14-10(3)11-5-4-6-12(15)7-11/h4-7,9-10,15H,8H2,1-3H3,(H,14,16).
What are the key properties of N-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide?
N-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide has a molecular weight of 237.30 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112688965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).