N-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide

C13H19NO3 — CID 112603236

IUPACN-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C13H19NO3/c1-9(2)17-8-13(16)14-12-6-4-5-11(7-12)10(3)15/h4-7,9-10,15H,8H2,1-3H3,(H,14,16)
InChIKeyTZAWZMLBIRWQJN-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.10
Rot. Bonds5

About N-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide

N-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide (PubChem CID 112603236) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide
PubChem CID112603236
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C13H19NO3/c1-9(2)17-8-13(16)14-12-6-4-5-11(7-12)10(3)15/h4-7,9-10,15H,8H2,1-3H3,(H,14,16)
InChIKeyTZAWZMLBIRWQJN-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112604048
1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea
CID 104765102
N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-naphthalen-2-yloxyacetamide
CID 7314126
N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide
CID 47412911
N-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide
CID 24707621
N-[3-(1-hydroxyethyl)phenyl]-3-propoxypropanamide
CID 55104060
N-[3-(3-aminoprop-1-ynyl)phenyl]-2-propan-2-yloxyacetamide
CID 112603659
N-[3-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209213
2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 47418203
N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide
CID 93090529
1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea
CID 61466439
N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide
CID 100803572

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide (CID 112603236) is N-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)Nc1cccc(C(C)O)c1.
What is the InChIKey of N-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide?
The InChIKey is TZAWZMLBIRWQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)17-8-13(16)14-12-6-4-5-11(7-12)10(3)15/h4-7,9-10,15H,8H2,1-3H3,(H,14,16).
What are the key properties of N-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide?
N-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide has a molecular weight of 237.30 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112603236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).