(2S)-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-prop-2-enoxypropanamide

C20H29N3O4 — CID 52520902

IUPAC(2S)-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-prop-2-enoxypropanamide
SMILESC=CCO[C@@H](C)C(=O)N(CC)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H29N3O4/c1-4-12-27-16(3)20(25)22(5-2)15-19(24)21-17-6-8-18(9-7-17)23-10-13-26-14-11-23/h4,6-9,16H,1,5,10-15H2,2-3H3,(H,21,24)/t16-/m0/s1
InChIKeyJEUSEWAYIPQLLH-INIZCTEOSA-N
MW375.47 g/mol
LogP1.90
Rot. Bonds9

About (2S)-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-prop-2-enoxypropanamide

(2S)-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-prop-2-enoxypropanamide (PubChem CID 52520902) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2S)-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-prop-2-enoxypropanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-prop-2-enoxypropanamide
PubChem CID52520902
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name(2S)-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-prop-2-enoxypropanamide
SMILESC=CCO[C@@H](C)C(=O)N(CC)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H29N3O4/c1-4-12-27-16(3)20(25)22(5-2)15-19(24)21-17-6-8-18(9-7-17)23-10-13-26-14-11-23/h4,6-9,16H,1,5,10-15H2,2-3H3,(H,21,24)/t16-/m0/s1
InChIKeyJEUSEWAYIPQLLH-INIZCTEOSA-N
XLogP1.90
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
CID 51331192
(2S)-N-ethyl-2-(3-methylphenoxy)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 8960446
N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide
CID 51156379
N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 51156382
N-[(2S)-1-[ethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 55943008
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 8960463
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55342225
2-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592894
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
N-ethyl-2-(2-fluorophenyl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 8960473
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 51156383

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-prop-2-enoxypropanamide?
The IUPAC name of (2S)-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-prop-2-enoxypropanamide (CID 52520902) is (2S)-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-prop-2-enoxypropanamide.
What is the SMILES notation for (2S)-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-prop-2-enoxypropanamide?
The canonical SMILES for (2S)-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-prop-2-enoxypropanamide is C=CCO[C@@H](C)C(=O)N(CC)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (2S)-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-prop-2-enoxypropanamide?
The InChIKey is JEUSEWAYIPQLLH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-4-12-27-16(3)20(25)22(5-2)15-19(24)21-17-6-8-18(9-7-17)23-10-13-26-14-11-23/h4,6-9,16H,1,5,10-15H2,2-3H3,(H,21,24)/t16-/m0/s1.
What are the key properties of (2S)-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-prop-2-enoxypropanamide?
(2S)-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-prop-2-enoxypropanamide has a molecular weight of 375.47 g/mol, XLogP of 1.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-prop-2-enoxypropanamide is sourced from PubChem (CID 52520902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).