(E)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-phenylprop-2-enamide

C22H25ClN2O2 — CID 110302697

IUPAC(E)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)NCC(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C22H25ClN2O2/c1-17(15-18-5-3-2-4-6-18)22(26)24-16-21(25-11-13-27-14-12-25)19-7-9-20(23)10-8-19/h2-10,15,21H,11-14,16H2,1H3,(H,24,26)/b17-15+
InChIKeyNZQWPVXPXBFCDW-BMRADRMJSA-N
MW384.91 g/mol
LogP3.93
Rot. Bonds6

About (E)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-phenylprop-2-enamide

(E)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-phenylprop-2-enamide (PubChem CID 110302697) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is (E)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-phenylprop-2-enamide
PubChem CID110302697
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name(E)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)NCC(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C22H25ClN2O2/c1-17(15-18-5-3-2-4-6-18)22(26)24-16-21(25-11-13-27-14-12-25)19-7-9-20(23)10-8-19/h2-10,15,21H,11-14,16H2,1H3,(H,24,26)/b17-15+
InChIKeyNZQWPVXPXBFCDW-BMRADRMJSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.93
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

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119867130
1-[(4-chlorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890774
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 60597314
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835189
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 119867147
(E)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide
CID 110304311
(E)-3-(4-chlorophenyl)-N-[(2S)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide
CID 35576965
2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 119867125
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylcyclobutane-1-carboxamide
CID 60596926
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119867154

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-phenylprop-2-enamide (CID 110302697) is (E)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-phenylprop-2-enamide is C/C(=C\c1ccccc1)C(=O)NCC(c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of (E)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-phenylprop-2-enamide?
The InChIKey is NZQWPVXPXBFCDW-BMRADRMJSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-17(15-18-5-3-2-4-6-18)22(26)24-16-21(25-11-13-27-14-12-25)19-7-9-20(23)10-8-19/h2-10,15,21H,11-14,16H2,1H3,(H,24,26)/b17-15+.
What are the key properties of (E)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-phenylprop-2-enamide?
(E)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-phenylprop-2-enamide has a molecular weight of 384.91 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 110302697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).