2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-prop-2-ynylacetamide

C23H27NO3 — CID 134249299

IUPAC2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1cc(C)c(Cc2ccc(O)c(C(C)C)c2)c(C)c1
InChIInChI=1S/C23H27NO3/c1-6-9-24-23(26)14-27-19-10-16(4)21(17(5)11-19)13-18-7-8-22(25)20(12-18)15(2)3/h1,7-8,10-12,15,25H,9,13-14H2,2-5H3,(H,24,26)
InChIKeyUSSVOUAGCCVDDV-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.85
Rot. Bonds7

About 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-prop-2-ynylacetamide

2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-prop-2-ynylacetamide (PubChem CID 134249299) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-prop-2-ynylacetamide
PubChem CID134249299
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1cc(C)c(Cc2ccc(O)c(C(C)C)c2)c(C)c1
InChIInChI=1S/C23H27NO3/c1-6-9-24-23(26)14-27-19-10-16(4)21(17(5)11-19)13-18-7-8-22(25)20(12-18)15(2)3/h1,7-8,10-12,15,25H,9,13-14H2,2-5H3,(H,24,26)
InChIKeyUSSVOUAGCCVDDV-UHFFFAOYSA-N
XLogP3.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Ethyl-2-[(naphthalen-1-yl)oxy]propanamide
CID 17650443
N-[2-[7-(3-propan-2-ylphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
CID 53238410
N-isopropyl-2-(naphthalen-1-yloxy)acetamide
CID 3661886
N-[2-(7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide
CID 18783019
2-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2177231
N-ethyl-2-(naphthalen-1-yloxy)acetamide
CID 2504498
N-ethyl-2-(4-phenylphenoxy)acetamide
CID 2550541
2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N,N-dimethylacetamide
CID 155534195
2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N-methylacetamide
CID 155546145
N-allyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 1566867
N-allyl-2-(2,3,5-trimethylphenoxy)acetamide
CID 2182758
2-(4-ethylphenoxy)-N-(2-phenoxyethyl)acetamide
CID 1811244

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-prop-2-ynylacetamide (CID 134249299) is 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-prop-2-ynylacetamide is C#CCNC(=O)COc1cc(C)c(Cc2ccc(O)c(C(C)C)c2)c(C)c1.
What is the InChIKey of 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-prop-2-ynylacetamide?
The InChIKey is USSVOUAGCCVDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-6-9-24-23(26)14-27-19-10-16(4)21(17(5)11-19)13-18-7-8-22(25)20(12-18)15(2)3/h1,7-8,10-12,15,25H,9,13-14H2,2-5H3,(H,24,26).
What are the key properties of 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-prop-2-ynylacetamide?
2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-prop-2-ynylacetamide has a molecular weight of 365.47 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-prop-2-ynylacetamide is sourced from PubChem (CID 134249299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).