N-[[2-(3-methylphenoxy)phenyl]methyl]but-2-ynamide

C18H17NO2 — CID 146083553

IUPACN-[[2-(3-methylphenoxy)phenyl]methyl]but-2-ynamide
SMILESCC#CC(=O)NCc1ccccc1Oc1cccc(C)c1
InChIInChI=1S/C18H17NO2/c1-3-7-18(20)19-13-15-9-4-5-11-17(15)21-16-10-6-8-14(2)12-16/h4-6,8-12H,13H2,1-2H3,(H,19,20)
InChIKeyGWOAXCOWUZMHOR-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.43
Rot. Bonds4

About N-[[2-(3-methylphenoxy)phenyl]methyl]but-2-ynamide

N-[[2-(3-methylphenoxy)phenyl]methyl]but-2-ynamide (PubChem CID 146083553) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[[2-(3-methylphenoxy)phenyl]methyl]but-2-ynamide.

Molecular Properties

Compound NameN-[[2-(3-methylphenoxy)phenyl]methyl]but-2-ynamide
PubChem CID146083553
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC NameN-[[2-(3-methylphenoxy)phenyl]methyl]but-2-ynamide
SMILESCC#CC(=O)NCc1ccccc1Oc1cccc(C)c1
InChIInChI=1S/C18H17NO2/c1-3-7-18(20)19-13-15-9-4-5-11-17(15)21-16-10-6-8-14(2)12-16/h4-6,8-12H,13H2,1-2H3,(H,19,20)
InChIKeyGWOAXCOWUZMHOR-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide
CID 146085901
2-(2-methoxyethylamino)-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide
CID 119777851
N-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine
CID 43283112
N-[2-[[2-(3-methylphenoxy)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide
CID 86897083
1-[[2-(3-methylphenoxy)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122001141
N-[1-[[2-(3-methylphenoxy)phenyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 86896713
2-N,2-N,6-trimethyl-5-N-[[2-(3-methylphenoxy)phenyl]methyl]pyridine-2,5-dicarboxamide
CID 86896413
N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119777833
2-(3-methylphenoxy)phenol
CID 22051950
N-[(2-ethoxyphenyl)methyl]-2-(3-methylphenoxy)acetamide
CID 53288654
(2R)-N-[(2-ethoxyphenyl)methyl]-2-(3-methylphenoxy)propanamide
CID 92679385
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[[2-(3-methylphenoxy)phenyl]methyl]guanidine;hydroiodide
CID 109428300

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylphenoxy)phenyl]methyl]but-2-ynamide?
The IUPAC name of N-[[2-(3-methylphenoxy)phenyl]methyl]but-2-ynamide (CID 146083553) is N-[[2-(3-methylphenoxy)phenyl]methyl]but-2-ynamide.
What is the SMILES notation for N-[[2-(3-methylphenoxy)phenyl]methyl]but-2-ynamide?
The canonical SMILES for N-[[2-(3-methylphenoxy)phenyl]methyl]but-2-ynamide is CC#CC(=O)NCc1ccccc1Oc1cccc(C)c1.
What is the InChIKey of N-[[2-(3-methylphenoxy)phenyl]methyl]but-2-ynamide?
The InChIKey is GWOAXCOWUZMHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-3-7-18(20)19-13-15-9-4-5-11-17(15)21-16-10-6-8-14(2)12-16/h4-6,8-12H,13H2,1-2H3,(H,19,20).
What are the key properties of N-[[2-(3-methylphenoxy)phenyl]methyl]but-2-ynamide?
N-[[2-(3-methylphenoxy)phenyl]methyl]but-2-ynamide has a molecular weight of 279.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylphenoxy)phenyl]methyl]but-2-ynamide is sourced from PubChem (CID 146083553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).