(Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(2-methylphenyl)prop-2-enamide

C21H23N3O3 — CID 54777104

IUPAC(Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCC(=O)N/C(=C\c1ccccc1C)C(=O)Nc1ccc(C)c(NC(C)=O)c1
InChIInChI=1S/C21H23N3O3/c1-13-7-5-6-8-17(13)11-20(23-16(4)26)21(27)24-18-10-9-14(2)19(12-18)22-15(3)25/h5-12H,1-4H3,(H,22,25)(H,23,26)(H,24,27)/b20-11-
InChIKeyMERZDWQETMGKDE-JAIQZWGSSA-N
MW365.43 g/mol
LogP3.38
Rot. Bonds5

About (Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(2-methylphenyl)prop-2-enamide

(Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(2-methylphenyl)prop-2-enamide (PubChem CID 54777104) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
PubChem CID54777104
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCC(=O)N/C(=C\c1ccccc1C)C(=O)Nc1ccc(C)c(NC(C)=O)c1
InChIInChI=1S/C21H23N3O3/c1-13-7-5-6-8-17(13)11-20(23-16(4)26)21(27)24-18-10-9-14(2)19(12-18)22-15(3)25/h5-12H,1-4H3,(H,22,25)(H,23,26)(H,24,27)/b20-11-
InChIKeyMERZDWQETMGKDE-JAIQZWGSSA-N
XLogP3.38
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-acetamido-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 17285888
(Z)-2-acetamido-N-(4-anilinophenyl)-3-(2-methylphenyl)prop-2-enamide
CID 17285895
2-acetamido-N-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enamide
CID 4929239
2-acetamido-N-(3-methoxyphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 4929290
2-acetamido-N-(2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 4929285
(Z)-2-acetamido-N-(2,3-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 19629147
(Z)-2-acetamido-N-(2-bromophenyl)-3-(2-methylphenyl)prop-2-enamide
CID 17285905
ethyl 4-[[2-acetamido-3-(2-methylphenyl)prop-2-enoyl]amino]benzoate
CID 4929280
(Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 54777092
(Z)-2-acetamido-N-(2-ethyl-6-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 17285918
N-[4-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]-2-methylphenyl]benzamide
CID 54781463
(Z)-2-acetamido-3-(2-methylphenyl)-N-prop-2-enylprop-2-enamide
CID 19629150

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(2-methylphenyl)prop-2-enamide (CID 54777104) is (Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(2-methylphenyl)prop-2-enamide is CC(=O)N/C(=C\c1ccccc1C)C(=O)Nc1ccc(C)c(NC(C)=O)c1.
What is the InChIKey of (Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(2-methylphenyl)prop-2-enamide?
The InChIKey is MERZDWQETMGKDE-JAIQZWGSSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-7-5-6-8-17(13)11-20(23-16(4)26)21(27)24-18-10-9-14(2)19(12-18)22-15(3)25/h5-12H,1-4H3,(H,22,25)(H,23,26)(H,24,27)/b20-11-.
What are the key properties of (Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(2-methylphenyl)prop-2-enamide?
(Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(2-methylphenyl)prop-2-enamide has a molecular weight of 365.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 54777104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).