(E)-3-(2-methylphenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide

C22H26N2O2 — CID 20744351

IUPAC(E)-3-(2-methylphenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
SMILESCc1ccccc1/C=C/C(=O)NC(C)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C22H26N2O2/c1-17-6-3-4-7-19(17)10-11-22(25)23-18(2)20-8-5-9-21(16-20)24-12-14-26-15-13-24/h3-11,16,18H,12-15H2,1-2H3,(H,23,25)/b11-10+
InChIKeyLDUOOZJOHSCJKL-ZHACJKMWSA-N
MW350.46 g/mol
LogP3.72
Rot. Bonds5

About (E)-3-(2-methylphenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide

(E)-3-(2-methylphenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide (PubChem CID 20744351) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (E)-3-(2-methylphenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methylphenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
PubChem CID20744351
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(E)-3-(2-methylphenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
SMILESCc1ccccc1/C=C/C(=O)NC(C)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C22H26N2O2/c1-17-6-3-4-7-19(17)10-11-22(25)23-18(2)20-8-5-9-21(16-20)24-12-14-26-15-13-24/h3-11,16,18H,12-15H2,1-2H3,(H,23,25)/b11-10+
InChIKeyLDUOOZJOHSCJKL-ZHACJKMWSA-N
XLogP3.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.72
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-(2-methoxyphenyl)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 11233922
3-(2-chloro-4-fluorophenyl)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 91224360
(E)-3-(3-fluorophenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 20744300
1-(3-morpholin-4-ylphenyl)ethylcarbamic acid
CID 22605465
(E)-3-(3-methylphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 48664048
(E)-N-[(1S)-1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethyl]-3-(2-fluorophenyl)prop-2-enamide
CID 11749382
(E)-3-(2-methylphenyl)-N-(1-naphthalen-2-ylethyl)prop-2-enamide
CID 20744344
1-(3-morpholin-4-ylphenyl)ethanamine;(E)-N-[1-(3-morpholin-4-ylphenyl)propyl]-3-phenylprop-2-enamide
CID 161134519
(E)-3-(3-methylphenyl)-N-[(1S)-1-[3-(4-pyridin-2-ylpiperazin-1-yl)phenyl]ethyl]prop-2-enamide
CID 58680162
(E)-3-(2,4-difluorophenyl)-N-[(1R)-2-hydroxy-1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 10249664
(E)-N-[(1S)-1-(4-fluoro-3-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-enamide
CID 11473692
3-(4-chloro-2-fluorophenyl)-N-[(1S)-2-hydroxy-1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 90887955

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methylphenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-methylphenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide (CID 20744351) is (E)-3-(2-methylphenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methylphenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-methylphenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide is Cc1ccccc1/C=C/C(=O)NC(C)c1cccc(N2CCOCC2)c1.
What is the InChIKey of (E)-3-(2-methylphenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide?
The InChIKey is LDUOOZJOHSCJKL-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-17-6-3-4-7-19(17)10-11-22(25)23-18(2)20-8-5-9-21(16-20)24-12-14-26-15-13-24/h3-11,16,18H,12-15H2,1-2H3,(H,23,25)/b11-10+.
What are the key properties of (E)-3-(2-methylphenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide?
(E)-3-(2-methylphenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide has a molecular weight of 350.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methylphenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 20744351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).