5-methoxy-N-methyl-2-[3-(2-nitrophenyl)prop-2-enoylamino]benzamide

C18H17N3O5 — CID 72684550

IUPAC5-methoxy-N-methyl-2-[3-(2-nitrophenyl)prop-2-enoylamino]benzamide
SMILESCNC(=O)c1cc(OC)ccc1NC(=O)C=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H17N3O5/c1-19-18(23)14-11-13(26-2)8-9-15(14)20-17(22)10-7-12-5-3-4-6-16(12)21(24)25/h3-11H,1-2H3,(H,19,23)(H,20,22)
InChIKeyKMOOBKQNZAXQMP-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.61
Rot. Bonds6

About 5-methoxy-N-methyl-2-[3-(2-nitrophenyl)prop-2-enoylamino]benzamide

5-methoxy-N-methyl-2-[3-(2-nitrophenyl)prop-2-enoylamino]benzamide (PubChem CID 72684550) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is 5-methoxy-N-methyl-2-[3-(2-nitrophenyl)prop-2-enoylamino]benzamide.

Molecular Properties

Compound Name5-methoxy-N-methyl-2-[3-(2-nitrophenyl)prop-2-enoylamino]benzamide
PubChem CID72684550
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name5-methoxy-N-methyl-2-[3-(2-nitrophenyl)prop-2-enoylamino]benzamide
SMILESCNC(=O)c1cc(OC)ccc1NC(=O)C=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H17N3O5/c1-19-18(23)14-11-13(26-2)8-9-15(14)20-17(22)10-7-12-5-3-4-6-16(12)21(24)25/h3-11H,1-2H3,(H,19,23)(H,20,22)
InChIKeyKMOOBKQNZAXQMP-UHFFFAOYSA-N
XLogP2.61
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(E)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 135360031
N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 73449712
2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methoxy-N-methylbenzamide
CID 72684553
2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 6014839
N-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 2931371
N-benzyl-2-[3-(2-nitrophenyl)prop-2-enoylamino]benzamide
CID 3319172
N-(4-methoxy-2-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 3410037
(E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(4-methoxy-2-nitrophenyl)prop-2-enamide
CID 6147507
(E)-N-(3-acetamido-4-methoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 33307679
(4-methoxy-2-nitrophenyl) 3-(2-nitrophenyl)prop-2-enoate
CID 76859394
(E)-3-(2-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 26881562
N-(2-chloro-4-nitrophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 3364955

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-2-[3-(2-nitrophenyl)prop-2-enoylamino]benzamide?
The IUPAC name of 5-methoxy-N-methyl-2-[3-(2-nitrophenyl)prop-2-enoylamino]benzamide (CID 72684550) is 5-methoxy-N-methyl-2-[3-(2-nitrophenyl)prop-2-enoylamino]benzamide.
What is the SMILES notation for 5-methoxy-N-methyl-2-[3-(2-nitrophenyl)prop-2-enoylamino]benzamide?
The canonical SMILES for 5-methoxy-N-methyl-2-[3-(2-nitrophenyl)prop-2-enoylamino]benzamide is CNC(=O)c1cc(OC)ccc1NC(=O)C=Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 5-methoxy-N-methyl-2-[3-(2-nitrophenyl)prop-2-enoylamino]benzamide?
The InChIKey is KMOOBKQNZAXQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-19-18(23)14-11-13(26-2)8-9-15(14)20-17(22)10-7-12-5-3-4-6-16(12)21(24)25/h3-11H,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 5-methoxy-N-methyl-2-[3-(2-nitrophenyl)prop-2-enoylamino]benzamide?
5-methoxy-N-methyl-2-[3-(2-nitrophenyl)prop-2-enoylamino]benzamide has a molecular weight of 355.35 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-2-[3-(2-nitrophenyl)prop-2-enoylamino]benzamide is sourced from PubChem (CID 72684550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).