N-[3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]propanamide

C19H19NO3 — CID 93002866

IUPACN-[3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C(=O)/C=C\c2ccc(OC)cc2)c1
InChIInChI=1S/C19H19NO3/c1-3-19(22)20-16-6-4-5-15(13-16)18(21)12-9-14-7-10-17(23-2)11-8-14/h4-13H,3H2,1-2H3,(H,20,22)/b12-9-
InChIKeyRMTHGGBLEMOUDL-XFXZXTDPSA-N
MW309.37 g/mol
LogP3.94
Rot. Bonds6

About N-[3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]propanamide

N-[3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]propanamide (PubChem CID 93002866) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]propanamide
PubChem CID93002866
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC NameN-[3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C(=O)/C=C\c2ccc(OC)cc2)c1
InChIInChI=1S/C19H19NO3/c1-3-19(22)20-16-6-4-5-15(13-16)18(21)12-9-14-7-10-17(23-2)11-8-14/h4-13H,3H2,1-2H3,(H,20,22)/b12-9-
InChIKeyRMTHGGBLEMOUDL-XFXZXTDPSA-N
XLogP3.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methoxyphenyl)-1-[3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 6153080
(E)-1-(3-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5346014
N-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858757
N-[3-[(Z)-3-[4-[(Z)-3-(3-acetamidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]acetamide
CID 21159287
N-[3-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]phenyl]propanamide
CID 6284238
(E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 954315
ethyl 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 890217
ethyl 3-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate
CID 890216
(E)-1-(4-hydroxy-3-propanoylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 15643084
N-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858697
N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 78319229
3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 75849829

Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]propanamide?
The IUPAC name of N-[3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]propanamide (CID 93002866) is N-[3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]propanamide.
What is the SMILES notation for N-[3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]propanamide?
The canonical SMILES for N-[3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]propanamide is CCC(=O)Nc1cccc(C(=O)/C=C\c2ccc(OC)cc2)c1.
What is the InChIKey of N-[3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]propanamide?
The InChIKey is RMTHGGBLEMOUDL-XFXZXTDPSA-N. The full InChI is InChI=1S/C19H19NO3/c1-3-19(22)20-16-6-4-5-15(13-16)18(21)12-9-14-7-10-17(23-2)11-8-14/h4-13H,3H2,1-2H3,(H,20,22)/b12-9-.
What are the key properties of N-[3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]propanamide?
N-[3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]propanamide has a molecular weight of 309.37 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]propanamide is sourced from PubChem (CID 93002866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).