N-(4-morpholin-4-ylphenyl)-3-(2-propoxyphenyl)prop-2-enamide

C22H26N2O3 — CID 4095390

IUPACN-(4-morpholin-4-ylphenyl)-3-(2-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccccc1C=CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H26N2O3/c1-2-15-27-21-6-4-3-5-18(21)7-12-22(25)23-19-8-10-20(11-9-19)24-13-16-26-17-14-24/h3-12H,2,13-17H2,1H3,(H,23,25)
InChIKeySELLAPPZPIOCSJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.96
Rot. Bonds7

About N-(4-morpholin-4-ylphenyl)-3-(2-propoxyphenyl)prop-2-enamide

N-(4-morpholin-4-ylphenyl)-3-(2-propoxyphenyl)prop-2-enamide (PubChem CID 4095390) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-3-(2-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-3-(2-propoxyphenyl)prop-2-enamide
PubChem CID4095390
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-(4-morpholin-4-ylphenyl)-3-(2-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccccc1C=CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H26N2O3/c1-2-15-27-21-6-4-3-5-18(21)7-12-22(25)23-19-8-10-20(11-9-19)24-13-16-26-17-14-24/h3-12H,2,13-17H2,1H3,(H,23,25)
InChIKeySELLAPPZPIOCSJ-UHFFFAOYSA-N
XLogP3.96
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 6213128
3-(2-ethoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]prop-2-enamide
CID 55906040
(E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
CID 9409440
propyl 4-[3-(2-propoxyphenyl)prop-2-enoylamino]benzoate
CID 4278286
(E)-3-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 30857760
(E)-N-(4-nitrophenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 19204245
3-(2-propoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 4089230
N-(3,5-dichlorophenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4278421
4-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 45426859
N-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4278423
N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4081938
(E)-3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 1107601

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-3-(2-propoxyphenyl)prop-2-enamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-3-(2-propoxyphenyl)prop-2-enamide (CID 4095390) is N-(4-morpholin-4-ylphenyl)-3-(2-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-3-(2-propoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-3-(2-propoxyphenyl)prop-2-enamide is CCCOc1ccccc1C=CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-3-(2-propoxyphenyl)prop-2-enamide?
The InChIKey is SELLAPPZPIOCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-2-15-27-21-6-4-3-5-18(21)7-12-22(25)23-19-8-10-20(11-9-19)24-13-16-26-17-14-24/h3-12H,2,13-17H2,1H3,(H,23,25).
What are the key properties of N-(4-morpholin-4-ylphenyl)-3-(2-propoxyphenyl)prop-2-enamide?
N-(4-morpholin-4-ylphenyl)-3-(2-propoxyphenyl)prop-2-enamide has a molecular weight of 366.46 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-3-(2-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 4095390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).