2-[ethyl-[(E)-3-phenylprop-2-enyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide

C23H29N3O2 — CID 78789952

IUPAC2-[ethyl-[(E)-3-phenylprop-2-enyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCCN(C/C=C/c1ccccc1)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H29N3O2/c1-2-25(14-6-9-20-7-4-3-5-8-20)19-23(27)24-21-10-12-22(13-11-21)26-15-17-28-18-16-26/h3-13H,2,14-19H2,1H3,(H,24,27)/b9-6+
InChIKeyGTPFCZSBDMDBLX-RMKNXTFCSA-N
MW379.50 g/mol
LogP3.50
Rot. Bonds8

About 2-[ethyl-[(E)-3-phenylprop-2-enyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[ethyl-[(E)-3-phenylprop-2-enyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 78789952) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[ethyl-[(E)-3-phenylprop-2-enyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[(E)-3-phenylprop-2-enyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID78789952
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[ethyl-[(E)-3-phenylprop-2-enyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCCN(C/C=C/c1ccccc1)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H29N3O2/c1-2-25(14-6-9-20-7-4-3-5-8-20)19-23(27)24-21-10-12-22(13-11-21)26-15-17-28-18-16-26/h3-13H,2,14-19H2,1H3,(H,24,27)/b9-6+
InChIKeyGTPFCZSBDMDBLX-RMKNXTFCSA-N
XLogP3.50
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 27200195
2-[ethyl(naphthalen-1-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55356704
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N-(3,4-difluorophenyl)-3-[ethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55482803
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592918
N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]pentanamide
CID 112984571
N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 51156382
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883
(2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592839
N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide
CID 51156379

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(E)-3-phenylprop-2-enyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[ethyl-[(E)-3-phenylprop-2-enyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 78789952) is 2-[ethyl-[(E)-3-phenylprop-2-enyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-[(E)-3-phenylprop-2-enyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[ethyl-[(E)-3-phenylprop-2-enyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide is CCN(C/C=C/c1ccccc1)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[ethyl-[(E)-3-phenylprop-2-enyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is GTPFCZSBDMDBLX-RMKNXTFCSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-2-25(14-6-9-20-7-4-3-5-8-20)19-23(27)24-21-10-12-22(13-11-21)26-15-17-28-18-16-26/h3-13H,2,14-19H2,1H3,(H,24,27)/b9-6+.
What are the key properties of 2-[ethyl-[(E)-3-phenylprop-2-enyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[ethyl-[(E)-3-phenylprop-2-enyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 379.50 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(E)-3-phenylprop-2-enyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 78789952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).