N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide

C17H16N2O3 — CID 166403507

IUPACN-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C17H16N2O3/c1-3-16(20)18-13-6-4-12(5-7-13)17(21)19-14-8-10-15(22-2)11-9-14/h3-11H,1H2,2H3,(H,18,20)(H,19,21)
InChIKeyKFUXKWQLRHBLOF-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.07
Rot. Bonds5

About N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide

N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide (PubChem CID 166403507) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
PubChem CID166403507
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C17H16N2O3/c1-3-16(20)18-13-6-4-12(5-7-13)17(21)19-14-8-10-15(22-2)11-9-14/h3-11H,1H2,2H3,(H,18,20)(H,19,21)
InChIKeyKFUXKWQLRHBLOF-UHFFFAOYSA-N
XLogP3.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.07
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

N-[4-(4-methoxyphenoxy)phenyl]prop-2-enamide
CID 135290524
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide
CID 166410938
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403508
N-(4-methoxyphenyl)-1-methylpyridin-1-ium-4-carboxamide
CID 1110822
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide (CID 166403507) is N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide?
The InChIKey is KFUXKWQLRHBLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-3-16(20)18-13-6-4-12(5-7-13)17(21)19-14-8-10-15(22-2)11-9-14/h3-11H,1H2,2H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide?
N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide has a molecular weight of 296.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 166403507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).