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

C22H25ClN2O2 — CID 134028185

IUPAC(E)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylbut-2-enamide
SMILESC/C(=C\C(=O)NCC(c1ccccc1Cl)N1CCOCC1)c1ccccc1
InChIInChI=1S/C22H25ClN2O2/c1-17(18-7-3-2-4-8-18)15-22(26)24-16-21(25-11-13-27-14-12-25)19-9-5-6-10-20(19)23/h2-10,15,21H,11-14,16H2,1H3,(H,24,26)/b17-15+
InChIKeySKWQDESOQCPZDG-BMRADRMJSA-N
MW384.91 g/mol
LogP3.93
Rot. Bonds6

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

(E)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylbut-2-enamide (PubChem CID 134028185) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is (E)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylbut-2-enamide
PubChem CID134028185
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name(E)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylbut-2-enamide
SMILESC/C(=C\C(=O)NCC(c1ccccc1Cl)N1CCOCC1)c1ccccc1
InChIInChI=1S/C22H25ClN2O2/c1-17(18-7-3-2-4-8-18)15-22(26)24-16-21(25-11-13-27-14-12-25)19-9-5-6-10-20(19)23/h2-10,15,21H,11-14,16H2,1H3,(H,24,26)/b17-15+
InChIKeySKWQDESOQCPZDG-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-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 35041740
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-phenylpropanamide
CID 120595396
ethyl N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamate
CID 110314125
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119849627
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-propan-2-yloxybenzamide
CID 35041682
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 37050457
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide
CID 17012199
3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 46398915
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide;hydrochloride
CID 52984554
4-[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzoic acid
CID 122030156

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylbut-2-enamide?
The IUPAC name of (E)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylbut-2-enamide (CID 134028185) is (E)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylbut-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylbut-2-enamide?
The canonical SMILES for (E)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylbut-2-enamide is C/C(=C\C(=O)NCC(c1ccccc1Cl)N1CCOCC1)c1ccccc1.
What is the InChIKey of (E)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylbut-2-enamide?
The InChIKey is SKWQDESOQCPZDG-BMRADRMJSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-17(18-7-3-2-4-8-18)15-22(26)24-16-21(25-11-13-27-14-12-25)19-9-5-6-10-20(19)23/h2-10,15,21H,11-14,16H2,1H3,(H,24,26)/b17-15+.
What are the key properties of (E)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylbut-2-enamide?
(E)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylbut-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-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylbut-2-enamide is sourced from PubChem (CID 134028185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).