N-cyclohexa-1,5-dien-1-yl-2-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]acetamide

C23H25NO3 — CID 144504798

IUPACN-cyclohexa-1,5-dien-1-yl-2-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]acetamide
SMILESCc1cc(Oc2c(C)cc(CC(=O)NC3=CCCC=C3)cc2C)ccc1O
InChIInChI=1S/C23H25NO3/c1-15-13-20(9-10-21(15)25)27-23-16(2)11-18(12-17(23)3)14-22(26)24-19-7-5-4-6-8-19/h5,7-13,25H,4,6,14H2,1-3H3,(H,24,26)
InChIKeyVKDIHZNWFYQOLX-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.00
Rot. Bonds5

About N-cyclohexa-1,5-dien-1-yl-2-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]acetamide

N-cyclohexa-1,5-dien-1-yl-2-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]acetamide (PubChem CID 144504798) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-2-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]acetamide.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-2-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]acetamide
PubChem CID144504798
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC NameN-cyclohexa-1,5-dien-1-yl-2-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]acetamide
SMILESCc1cc(Oc2c(C)cc(CC(=O)NC3=CCCC=C3)cc2C)ccc1O
InChIInChI=1S/C23H25NO3/c1-15-13-20(9-10-21(15)25)27-23-16(2)11-18(12-17(23)3)14-22(26)24-19-7-5-4-6-8-19/h5,7-13,25H,4,6,14H2,1-3H3,(H,24,26)
InChIKeyVKDIHZNWFYQOLX-UHFFFAOYSA-N
XLogP5.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]-N-phenylsulfanylacetamide
CID 144504775
2-[(2-aminoacetyl)amino]-3-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]propanoic acid
CID 143425304
4-(2,6-dimethyl-4-propylphenoxy)-2-methylphenol
CID 144504856
(2R)-2-amino-3-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]propanoic acid;ethane
CID 143752224
ethane;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetamide
CID 144504805
4-[4-(2-amino-3-hydroxypropyl)-2,6-dimethylphenoxy]-2-methylphenol
CID 123979679
N'-cyclohexa-1,5-dien-1-yl-N-methylpropanediamide
CID 143768709
methyl N-cyclohexa-1,5-dien-1-ylcarbamate
CID 145077973
ethane;2-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-dimethylphenyl]acetic acid
CID 143661194
5-[2,6-dimethyl-4-[3-oxo-3-(sulfanylamino)propyl]phenoxy]-2-hydroxybenzamide
CID 144504712
2-[4-(3-bromo-4-hydroxyphenoxy)-3,5-dimethylanilino]-2-oxoacetic acid
CID 19030095
1-cyclohexa-1,5-dien-1-yl-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea
CID 142291403

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-2-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]acetamide?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-2-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]acetamide (CID 144504798) is N-cyclohexa-1,5-dien-1-yl-2-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]acetamide.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-2-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]acetamide?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-2-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]acetamide is Cc1cc(Oc2c(C)cc(CC(=O)NC3=CCCC=C3)cc2C)ccc1O.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-2-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]acetamide?
The InChIKey is VKDIHZNWFYQOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-15-13-20(9-10-21(15)25)27-23-16(2)11-18(12-17(23)3)14-22(26)24-19-7-5-4-6-8-19/h5,7-13,25H,4,6,14H2,1-3H3,(H,24,26).
What are the key properties of N-cyclohexa-1,5-dien-1-yl-2-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]acetamide?
N-cyclohexa-1,5-dien-1-yl-2-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-2-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]acetamide is sourced from PubChem (CID 144504798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).