(2S)-2-(4-fluorophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide

C22H26FN3O4 — CID 26729871

IUPAC(2S)-2-(4-fluorophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H26FN3O4/c1-16(30-20-9-3-17(23)4-10-20)22(28)25(2)15-21(27)24-18-5-7-19(8-6-18)26-11-13-29-14-12-26/h3-10,16H,11-15H2,1-2H3,(H,24,27)/t16-/m0/s1
InChIKeyJZDIVSMXMZRSJQ-INIZCTEOSA-N
MW415.47 g/mol
LogP2.53
Rot. Bonds7

About (2S)-2-(4-fluorophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide

(2S)-2-(4-fluorophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide (PubChem CID 26729871) has the molecular formula C22H26FN3O4 and a molecular weight of 415.47 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
PubChem CID26729871
Molecular FormulaC22H26FN3O4
Molecular Weight415.47 g/mol
Exact Mass415.19
IUPAC Name(2S)-2-(4-fluorophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H26FN3O4/c1-16(30-20-9-3-17(23)4-10-20)22(28)25(2)15-21(27)24-18-5-7-19(8-6-18)26-11-13-29-14-12-26/h3-10,16H,11-15H2,1-2H3,(H,24,27)/t16-/m0/s1
InChIKeyJZDIVSMXMZRSJQ-INIZCTEOSA-N
XLogP2.53
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2,4-dichlorophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 25336598
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-(4-fluorophenoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpropanamide
CID 42990044
(2S)-N-ethyl-2-(3-methylphenoxy)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 8960446
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-pyrazol-1-ylpropanamide
CID 134048488
(2R)-2-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 8002204
1-(4-fluorophenyl)-N,3,5-trimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 55380653
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4820757
2-(4-ethoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 53267110
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N,N-di(propan-2-yl)propanamide
CID 55430711
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 100519754

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide (CID 26729871) is (2S)-2-(4-fluorophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide is C[C@H](Oc1ccc(F)cc1)C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
The InChIKey is JZDIVSMXMZRSJQ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26FN3O4/c1-16(30-20-9-3-17(23)4-10-20)22(28)25(2)15-21(27)24-18-5-7-19(8-6-18)26-11-13-29-14-12-26/h3-10,16H,11-15H2,1-2H3,(H,24,27)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
(2S)-2-(4-fluorophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide has a molecular weight of 415.47 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 26729871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).