2-acetamido-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide

C19H19N3O4 — CID 4926208

IUPAC2-acetamido-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESCC(=O)NC(=Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C19H19N3O4/c1-12-7-13(2)9-16(8-12)21-19(24)18(20-14(3)23)11-15-5-4-6-17(10-15)22(25)26/h4-11H,1-3H3,(H,20,23)(H,21,24)
InChIKeyKSYKPDJJNRRNCB-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.33
Rot. Bonds5

About 2-acetamido-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide

2-acetamido-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 4926208) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-acetamido-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name2-acetamido-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
PubChem CID4926208
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-acetamido-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESCC(=O)NC(=Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C19H19N3O4/c1-12-7-13(2)9-16(8-12)21-19(24)18(20-14(3)23)11-15-5-4-6-17(10-15)22(25)26/h4-11H,1-3H3,(H,20,23)(H,21,24)
InChIKeyKSYKPDJJNRRNCB-UHFFFAOYSA-N
XLogP3.33
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-N-(3,5-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4926207
(Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 54777092
(Z)-2-acetamido-N-(2,4-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 17285822
(E)-2-acetamido-N-methyl-3-(3-nitrophenyl)prop-2-enamide
CID 6232705
2-acetamido-N-methyl-3-(3-nitrophenyl)prop-2-enamide
CID 4926309
(Z)-2-acetamido-N-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 17285820
2-acetamido-3-(3-nitrophenyl)-N-propan-2-ylprop-2-enamide
CID 4205408
(Z)-2-acetamido-N-[4-methyl-3-(propanoylamino)phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 46761048
N-[(E)-3-(4-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2274339
(Z)-2-acetamido-3-(3-nitrophenyl)-N-prop-2-enylprop-2-enamide
CID 6232689
(E)-2-acetamido-N-[4-(3-methylbutoxy)phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 6235214
2-acetamido-N-[4-(3-methylbutoxy)phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 4949906

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of 2-acetamido-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide (CID 4926208) is 2-acetamido-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for 2-acetamido-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for 2-acetamido-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide is CC(=O)NC(=Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of 2-acetamido-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is KSYKPDJJNRRNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12-7-13(2)9-16(8-12)21-19(24)18(20-14(3)23)11-15-5-4-6-17(10-15)22(25)26/h4-11H,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 2-acetamido-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide?
2-acetamido-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 353.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 4926208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).