(2S)-N-ethyl-2-(3-methylphenoxy)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide

C24H31N3O4 — CID 8960446

IUPAC(2S)-N-ethyl-2-(3-methylphenoxy)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)[C@H](C)Oc1cccc(C)c1
InChIInChI=1S/C24H31N3O4/c1-4-26(24(29)19(3)31-22-7-5-6-18(2)16-22)17-23(28)25-20-8-10-21(11-9-20)27-12-14-30-15-13-27/h5-11,16,19H,4,12-15,17H2,1-3H3,(H,25,28)/t19-/m0/s1
InChIKeyCYAMAATYLHXKEK-IBGZPJMESA-N
MW425.53 g/mol
LogP3.09
Rot. Bonds8

About (2S)-N-ethyl-2-(3-methylphenoxy)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide

(2S)-N-ethyl-2-(3-methylphenoxy)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide (PubChem CID 8960446) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is (2S)-N-ethyl-2-(3-methylphenoxy)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-(3-methylphenoxy)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
PubChem CID8960446
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name(2S)-N-ethyl-2-(3-methylphenoxy)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)[C@H](C)Oc1cccc(C)c1
InChIInChI=1S/C24H31N3O4/c1-4-26(24(29)19(3)31-22-7-5-6-18(2)16-22)17-23(28)25-20-8-10-21(11-9-20)27-12-14-30-15-13-27/h5-11,16,19H,4,12-15,17H2,1-3H3,(H,25,28)/t19-/m0/s1
InChIKeyCYAMAATYLHXKEK-IBGZPJMESA-N
XLogP3.09
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.09
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

2-[ethyl-[2-(3-methylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8960478
(2S)-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-prop-2-enoxypropanamide
CID 52520902
N-ethyl-2-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
CID 51331192
N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 51156382
(2S)-2-(4-fluorophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 26729871
N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide
CID 51156379
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 27200195
(2R)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide
CID 8917521
3-methyl-N-[3-methyl-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide
CID 55328581
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-2-(2-fluorophenyl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 8960473
2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55352514

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-(3-methylphenoxy)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
The IUPAC name of (2S)-N-ethyl-2-(3-methylphenoxy)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide (CID 8960446) is (2S)-N-ethyl-2-(3-methylphenoxy)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for (2S)-N-ethyl-2-(3-methylphenoxy)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
The canonical SMILES for (2S)-N-ethyl-2-(3-methylphenoxy)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide is CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)[C@H](C)Oc1cccc(C)c1.
What is the InChIKey of (2S)-N-ethyl-2-(3-methylphenoxy)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
The InChIKey is CYAMAATYLHXKEK-IBGZPJMESA-N. The full InChI is InChI=1S/C24H31N3O4/c1-4-26(24(29)19(3)31-22-7-5-6-18(2)16-22)17-23(28)25-20-8-10-21(11-9-20)27-12-14-30-15-13-27/h5-11,16,19H,4,12-15,17H2,1-3H3,(H,25,28)/t19-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-(3-methylphenoxy)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
(2S)-N-ethyl-2-(3-methylphenoxy)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide has a molecular weight of 425.53 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-(3-methylphenoxy)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 8960446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).