N-(3-cyano-4-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide

C19H17N3O3 — CID 167804046

IUPACN-(3-cyano-4-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)Nc2ccc(OC)c(C#N)c2)cc1
InChIInChI=1S/C19H17N3O3/c1-4-18(23)22(2)16-8-5-13(6-9-16)19(24)21-15-7-10-17(25-3)14(11-15)12-20/h4-11H,1H2,2-3H3,(H,21,24)
InChIKeyBYERVJCCDLCQLZ-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.97
Rot. Bonds5

About N-(3-cyano-4-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide

N-(3-cyano-4-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide (PubChem CID 167804046) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(3-cyano-4-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-cyano-4-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide
PubChem CID167804046
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-(3-cyano-4-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)Nc2ccc(OC)c(C#N)c2)cc1
InChIInChI=1S/C19H17N3O3/c1-4-18(23)22(2)16-8-5-13(6-9-16)19(24)21-15-7-10-17(25-3)14(11-15)12-20/h4-11H,1H2,2-3H3,(H,21,24)
InChIKeyBYERVJCCDLCQLZ-UHFFFAOYSA-N
XLogP2.97
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-cyano-4-methoxyphenyl)benzamide
CID 23791470
N-(2,3-dimethylquinoxalin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413609
N-(3-cyano-4-methoxyphenyl)acetamide
CID 5070081
3-cyano-4-methoxy-N-phenylbenzamide
CID 18626252
3-chloro-5-[[4-[methyl(prop-2-enoyl)amino]benzoyl]amino]benzamide
CID 166414265
N-(1,3-benzothiazol-5-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413965
4-tert-butyl-N-(3,4-dicyanophenyl)benzamide
CID 78843259
N-[4-(3-amino-3-oxopropyl)phenyl]-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413861
N-(3-chloro-2-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413859
4-[methyl(prop-2-enoyl)amino]-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide
CID 166413864
N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413998
N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55339628

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide?
The IUPAC name of N-(3-cyano-4-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide (CID 167804046) is N-(3-cyano-4-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide.
What is the SMILES notation for N-(3-cyano-4-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide?
The canonical SMILES for N-(3-cyano-4-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide is C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc(OC)c(C#N)c2)cc1.
What is the InChIKey of N-(3-cyano-4-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide?
The InChIKey is BYERVJCCDLCQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-4-18(23)22(2)16-8-5-13(6-9-16)19(24)21-15-7-10-17(25-3)14(11-15)12-20/h4-11H,1H2,2-3H3,(H,21,24).
What are the key properties of N-(3-cyano-4-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide?
N-(3-cyano-4-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide has a molecular weight of 335.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide is sourced from PubChem (CID 167804046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).