N-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide

C19H21NO3 — CID 2791655

IUPACN-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(C=CC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C19H21NO3/c1-3-13-23-17-10-7-15(8-11-17)9-12-19(21)20-16-5-4-6-18(14-16)22-2/h4-12,14H,3,13H2,1-2H3,(H,20,21)
InChIKeyJTDOFVRTXOMGMA-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.14
Rot. Bonds7

About N-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide

N-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide (PubChem CID 2791655) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide
PubChem CID2791655
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(C=CC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C19H21NO3/c1-3-13-23-17-10-7-15(8-11-17)9-12-19(21)20-16-5-4-6-18(14-16)22-2/h4-12,14H,3,13H2,1-2H3,(H,20,21)
InChIKeyJTDOFVRTXOMGMA-UHFFFAOYSA-N
XLogP4.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.14
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)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150
(E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide
CID 17094994
(E)-N-[3-(2-ethoxyethoxy)phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227161
N-(3-bromophenyl)-3-(4-butoxyphenyl)prop-2-enamide
CID 5049931
3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 4943064
N-(4-fluorophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791684
(E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 6146604
(E)-N-(3-ethoxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 60533788
3-(4-hydroxyphenyl)-N-(3-octadecoxyphenyl)prop-2-enamide
CID 54182223
(E)-3-[4-(difluoromethoxy)phenyl]-N-(3-methoxyphenyl)prop-2-enamide
CID 2654528
(E)-3-(4-propoxyphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 98823643
methyl 4-[3-(4-propoxyphenyl)prop-2-enoylamino]benzoate
CID 3535563

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide?
The IUPAC name of N-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide (CID 2791655) is N-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide is CCCOc1ccc(C=CC(=O)Nc2cccc(OC)c2)cc1.
What is the InChIKey of N-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide?
The InChIKey is JTDOFVRTXOMGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-13-23-17-10-7-15(8-11-17)9-12-19(21)20-16-5-4-6-18(14-16)22-2/h4-12,14H,3,13H2,1-2H3,(H,20,21).
What are the key properties of N-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide?
N-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide has a molecular weight of 311.38 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2791655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).