(E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide

C19H20N2O3 — CID 954315

IUPAC(E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
SMILESCCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20N2O3/c1-3-18(22)20-15-7-9-16(10-8-15)21-19(23)13-6-14-4-11-17(24-2)12-5-14/h4-13H,3H2,1-2H3,(H,20,22)(H,21,23)/b13-6+
InChIKeyNVBIDSVPTJDTRB-AWNIVKPZSA-N
MW324.38 g/mol
LogP3.70
Rot. Bonds6

About (E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide (PubChem CID 954315) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
PubChem CID954315
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
SMILESCCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20N2O3/c1-3-18(22)20-15-7-9-16(10-8-15)21-19(23)13-6-14-4-11-17(24-2)12-5-14/h4-13H,3H2,1-2H3,(H,20,22)(H,21,23)/b13-6+
InChIKeyNVBIDSVPTJDTRB-AWNIVKPZSA-N
XLogP3.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.70
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

3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide
CID 17233523
N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1293099
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 33256092
(E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 790357
N-[3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]propanamide
CID 93002866
(E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6259894
(E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 897806
(E)-N-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 5404828
4-tert-butyl-N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17235009

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide (CID 954315) is (E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide is CCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide?
The InChIKey is NVBIDSVPTJDTRB-AWNIVKPZSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-18(22)20-15-7-9-16(10-8-15)21-19(23)13-6-14-4-11-17(24-2)12-5-14/h4-13H,3H2,1-2H3,(H,20,22)(H,21,23)/b13-6+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide has a molecular weight of 324.38 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide is sourced from PubChem (CID 954315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).