N,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide

C23H28N2O4 — CID 8503813

IUPACN,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
SMILESC=CCc1ccc(OCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)c(OC)c1
InChIInChI=1S/C23H28N2O4/c1-5-8-17-9-14-20(21(15-17)28-4)29-16-22(26)24-19-12-10-18(11-13-19)23(27)25(6-2)7-3/h5,9-15H,1,6-8,16H2,2-4H3,(H,24,26)
InChIKeyGZPCZKIHFMVYHB-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.92
Rot. Bonds10

About N,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide

N,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide (PubChem CID 8503813) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
PubChem CID8503813
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
SMILESC=CCc1ccc(OCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)c(OC)c1
InChIInChI=1S/C23H28N2O4/c1-5-8-17-9-14-20(21(15-17)28-4)29-16-22(26)24-19-12-10-18(11-13-19)23(27)25(6-2)7-3/h5,9-15H,1,6-8,16H2,2-4H3,(H,24,26)
InChIKeyGZPCZKIHFMVYHB-UHFFFAOYSA-N
XLogP3.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26915649
S-[4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529727
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 24683432
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78767935
2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 26086828
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216393
[2-(4-cyanoanilino)-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804200
N-(3-ethynylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 30779256
methyl 4,5-dimethoxy-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzoate
CID 26176842
2-[ethyl-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-(2-methoxyphenyl)acetamide
CID 38798639
2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
CID 55877884

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide (CID 8503813) is N,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide is C=CCc1ccc(OCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)c(OC)c1.
What is the InChIKey of N,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide?
The InChIKey is GZPCZKIHFMVYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-5-8-17-9-14-20(21(15-17)28-4)29-16-22(26)24-19-12-10-18(11-13-19)23(27)25(6-2)7-3/h5,9-15H,1,6-8,16H2,2-4H3,(H,24,26).
What are the key properties of N,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide?
N,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide has a molecular weight of 396.49 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 8503813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).