N-[4-(4-methyl-2-prop-2-enylphenoxy)phenyl]acetamide

C18H19NO2 — CID 54371897

IUPACN-[4-(4-methyl-2-prop-2-enylphenoxy)phenyl]acetamide
SMILESC=CCc1cc(C)ccc1Oc1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H19NO2/c1-4-5-15-12-13(2)6-11-18(15)21-17-9-7-16(8-10-17)19-14(3)20/h4,6-12H,1,5H2,2-3H3,(H,19,20)
InChIKeySUDFFPVILLKMDI-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.47
Rot. Bonds5

About N-[4-(4-methyl-2-prop-2-enylphenoxy)phenyl]acetamide

N-[4-(4-methyl-2-prop-2-enylphenoxy)phenyl]acetamide (PubChem CID 54371897) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[4-(4-methyl-2-prop-2-enylphenoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methyl-2-prop-2-enylphenoxy)phenyl]acetamide
PubChem CID54371897
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-[4-(4-methyl-2-prop-2-enylphenoxy)phenyl]acetamide
SMILESC=CCc1cc(C)ccc1Oc1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H19NO2/c1-4-5-15-12-13(2)6-11-18(15)21-17-9-7-16(8-10-17)19-14(3)20/h4,6-12H,1,5H2,2-3H3,(H,19,20)
InChIKeySUDFFPVILLKMDI-UHFFFAOYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetamidophenyl)-N-[5-chloro-2-(4-methylphenoxy)phenyl]acetamide
CID 18195978
N-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]acetamide
CID 5065684
N-(4-but-3-enoxyphenyl)acetamide
CID 11195080
N-(4-methylphenyl)acetamide
CID 7684
methyl 2-(5-methyl-2-phenoxyphenyl)acetate
CID 158548362
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2-prop-2-enylphenoxy)acetate
CID 1407145
N-(3-phenylmethoxy-4-prop-2-enylphenyl)acetamide
CID 18973919
N-[4-[(6-chloro-2-methyl-3-pyridinyl)oxy]phenyl]acetamide
CID 82225235
1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene
CID 144777892
dimethyl 5-(4-methylphenoxy)-4-prop-2-enylbenzene-1,3-dicarboxylate;sulfur dioxide
CID 159295328
N-[4-(2-methoxy-5-methylanilino)phenyl]acetamide
CID 112987716
N-(2-acetamido-4-phenoxy-3-prop-2-enylphenyl)acetamide
CID 70450631

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-2-prop-2-enylphenoxy)phenyl]acetamide?
The IUPAC name of N-[4-(4-methyl-2-prop-2-enylphenoxy)phenyl]acetamide (CID 54371897) is N-[4-(4-methyl-2-prop-2-enylphenoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-methyl-2-prop-2-enylphenoxy)phenyl]acetamide?
The canonical SMILES for N-[4-(4-methyl-2-prop-2-enylphenoxy)phenyl]acetamide is C=CCc1cc(C)ccc1Oc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-(4-methyl-2-prop-2-enylphenoxy)phenyl]acetamide?
The InChIKey is SUDFFPVILLKMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-4-5-15-12-13(2)6-11-18(15)21-17-9-7-16(8-10-17)19-14(3)20/h4,6-12H,1,5H2,2-3H3,(H,19,20).
What are the key properties of N-[4-(4-methyl-2-prop-2-enylphenoxy)phenyl]acetamide?
N-[4-(4-methyl-2-prop-2-enylphenoxy)phenyl]acetamide has a molecular weight of 281.36 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-2-prop-2-enylphenoxy)phenyl]acetamide is sourced from PubChem (CID 54371897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).