N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

C25H25NO3 — CID 7714022

IUPACN-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C25H25NO3/c1-3-10-19-15-16-22(23(17-19)28-2)29-18-24(27)26-25(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h3-9,11-17,25H,1,10,18H2,2H3,(H,26,27)
InChIKeyHYKAUKXXAMTDDX-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.71
Rot. Bonds9

About N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (PubChem CID 7714022) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
PubChem CID7714022
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC NameN-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C25H25NO3/c1-3-10-19-15-16-22(23(17-19)28-2)29-18-24(27)26-25(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h3-9,11-17,25H,1,10,18H2,2H3,(H,26,27)
InChIKeyHYKAUKXXAMTDDX-UHFFFAOYSA-N
XLogP4.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
(3R)-3-(4-chlorophenyl)-3-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]propanoic acid
CID 2526838
N-(1-amino-4-methylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 119586257
N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216414
N-(1-amino-4-methylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide;hydrochloride
CID 119586256
N-[cyclopropyl-(4-methylphenyl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 24582522
N-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18168528
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide
CID 19621809
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804216
N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78767935
2-(3,4-difluorophenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-methylacetamide
CID 78834446
(2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate
CID 137496757

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (CID 7714022) is N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is C=CCc1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)c(OC)c1.
What is the InChIKey of N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The InChIKey is HYKAUKXXAMTDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-3-10-19-15-16-22(23(17-19)28-2)29-18-24(27)26-25(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h3-9,11-17,25H,1,10,18H2,2H3,(H,26,27).
What are the key properties of N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide has a molecular weight of 387.48 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 7714022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).