(E)-N-ethyl-3-(1H-imidazol-5-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide

C20H25N5O3 — CID 91652356

IUPAC(E)-N-ethyl-3-(1H-imidazol-5-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1cnc[nH]1
InChIInChI=1S/C20H25N5O3/c1-2-24(20(27)8-5-17-13-21-15-22-17)14-19(26)23-16-3-6-18(7-4-16)25-9-11-28-12-10-25/h3-8,13,15H,2,9-12,14H2,1H3,(H,21,22)(H,23,26)/b8-5+
InChIKeyIDEJDLVMGYOMOS-VMPITWQZSA-N
MW383.45 g/mol
LogP1.75
Rot. Bonds7

About (E)-N-ethyl-3-(1H-imidazol-5-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide

(E)-N-ethyl-3-(1H-imidazol-5-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide (PubChem CID 91652356) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is (E)-N-ethyl-3-(1H-imidazol-5-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-(1H-imidazol-5-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
PubChem CID91652356
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name(E)-N-ethyl-3-(1H-imidazol-5-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1cnc[nH]1
InChIInChI=1S/C20H25N5O3/c1-2-24(20(27)8-5-17-13-21-15-22-17)14-19(26)23-16-3-6-18(7-4-16)25-9-11-28-12-10-25/h3-8,13,15H,2,9-12,14H2,1H3,(H,21,22)(H,23,26)/b8-5+
InChIKeyIDEJDLVMGYOMOS-VMPITWQZSA-N
XLogP1.75
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 51156382
N-ethyl-2-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
CID 51331192
N-ethyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
CID 55342247
6-chloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 55342135
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 8960463
N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide
CID 51156379
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 51156383
(2S)-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-prop-2-enoxypropanamide
CID 52520902
N-ethyl-2-(2-fluorophenyl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 8960473
2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55342013
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 27200195

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-(1H-imidazol-5-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide?
The IUPAC name of (E)-N-ethyl-3-(1H-imidazol-5-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide (CID 91652356) is (E)-N-ethyl-3-(1H-imidazol-5-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-(1H-imidazol-5-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-(1H-imidazol-5-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide is CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1cnc[nH]1.
What is the InChIKey of (E)-N-ethyl-3-(1H-imidazol-5-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide?
The InChIKey is IDEJDLVMGYOMOS-VMPITWQZSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-2-24(20(27)8-5-17-13-21-15-22-17)14-19(26)23-16-3-6-18(7-4-16)25-9-11-28-12-10-25/h3-8,13,15H,2,9-12,14H2,1H3,(H,21,22)(H,23,26)/b8-5+.
What are the key properties of (E)-N-ethyl-3-(1H-imidazol-5-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide?
(E)-N-ethyl-3-(1H-imidazol-5-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide has a molecular weight of 383.45 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-(1H-imidazol-5-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 91652356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).