3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-benzylphenyl)prop-2-enamide

C24H22N2O3 — CID 76854319

IUPAC3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-benzylphenyl)prop-2-enamide
SMILESNC(=O)COc1ccc(C=CC(=O)Nc2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C24H22N2O3/c25-23(27)17-29-21-13-10-18(11-14-21)12-15-24(28)26-22-9-5-4-8-20(22)16-19-6-2-1-3-7-19/h1-15H,16-17H2,(H2,25,27)(H,26,28)
InChIKeySRYBSEFEZNHPBZ-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.79
Rot. Bonds8

About 3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-benzylphenyl)prop-2-enamide

3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-benzylphenyl)prop-2-enamide (PubChem CID 76854319) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-benzylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-benzylphenyl)prop-2-enamide
PubChem CID76854319
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-benzylphenyl)prop-2-enamide
SMILESNC(=O)COc1ccc(C=CC(=O)Nc2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C24H22N2O3/c25-23(27)17-29-21-13-10-18(11-14-21)12-15-24(28)26-22-9-5-4-8-20(22)16-19-6-2-1-3-7-19/h1-15H,16-17H2,(H2,25,27)(H,26,28)
InChIKeySRYBSEFEZNHPBZ-UHFFFAOYSA-N
XLogP3.79
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]prop-2-enoyl]amino]-N-(3-amino-3-oxopropyl)benzamide
CID 56572105
[2-(2-benzylanilino)-2-oxoethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
CID 55737806
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(2-methylphenyl)ethyl]prop-2-enamide
CID 9488854
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide
CID 9400445
N-(2-benzylphenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 3394107
N-(2-benzylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 71904712
(2-amino-2-oxoethyl) 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 2593504
(E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide
CID 43601058
N-(2-benzylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4812357
N-(2-benzylphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503196
(E)-N-(3-bromo-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 6260873
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide
CID 134060013

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-benzylphenyl)prop-2-enamide?
The IUPAC name of 3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-benzylphenyl)prop-2-enamide (CID 76854319) is 3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-benzylphenyl)prop-2-enamide.
What is the SMILES notation for 3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-benzylphenyl)prop-2-enamide?
The canonical SMILES for 3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-benzylphenyl)prop-2-enamide is NC(=O)COc1ccc(C=CC(=O)Nc2ccccc2Cc2ccccc2)cc1.
What is the InChIKey of 3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-benzylphenyl)prop-2-enamide?
The InChIKey is SRYBSEFEZNHPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c25-23(27)17-29-21-13-10-18(11-14-21)12-15-24(28)26-22-9-5-4-8-20(22)16-19-6-2-1-3-7-19/h1-15H,16-17H2,(H2,25,27)(H,26,28).
What are the key properties of 3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-benzylphenyl)prop-2-enamide?
3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-benzylphenyl)prop-2-enamide has a molecular weight of 386.45 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-benzylphenyl)prop-2-enamide is sourced from PubChem (CID 76854319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).