(2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide

C21H36N4O4 — CID 7258953

IUPAC(2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide
SMILESCCCC[C@@H](CC)C(=O)N(CCCN1CCOCC1)CC(=O)Nc1cc(C)on1
InChIInChI=1S/C21H36N4O4/c1-4-6-8-18(5-2)21(27)25(10-7-9-24-11-13-28-14-12-24)16-20(26)22-19-15-17(3)29-23-19/h15,18H,4-14,16H2,1-3H3,(H,22,23,26)/t18-/m1/s1
InChIKeyMDOKZNHWAXXPBO-GOSISDBHSA-N
MW408.54 g/mol
LogP2.69
Rot. Bonds12

About (2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide

(2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide (PubChem CID 7258953) has the molecular formula C21H36N4O4 and a molecular weight of 408.54 g/mol. Its IUPAC name is (2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide.

Molecular Properties

Compound Name(2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide
PubChem CID7258953
Molecular FormulaC21H36N4O4
Molecular Weight408.54 g/mol
Exact Mass408.27
IUPAC Name(2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide
SMILESCCCC[C@@H](CC)C(=O)N(CCCN1CCOCC1)CC(=O)Nc1cc(C)on1
InChIInChI=1S/C21H36N4O4/c1-4-6-8-18(5-2)21(27)25(10-7-9-24-11-13-28-14-12-24)16-20(26)22-19-15-17(3)29-23-19/h15,18H,4-14,16H2,1-3H3,(H,22,23,26)/t18-/m1/s1
InChIKeyMDOKZNHWAXXPBO-GOSISDBHSA-N
XLogP2.69
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ium-4-ylpropyl)hexanamide
CID 7258952
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide
CID 5007579
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide
CID 4083024
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2,2-diphenylacetamide
CID 4689722
3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 4614213
3,4-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3462860
2-[(2,3-dimethylphenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7297305
1-hexyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-morpholin-4-ylethyl)urea
CID 47076439
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methylphenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]acetamide
CID 3444758
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 3904370
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxole-5-carboxamide
CID 4133885
N-butyl-2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 24715040

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide?
The IUPAC name of (2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide (CID 7258953) is (2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide.
What is the SMILES notation for (2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide?
The canonical SMILES for (2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide is CCCC[C@@H](CC)C(=O)N(CCCN1CCOCC1)CC(=O)Nc1cc(C)on1.
What is the InChIKey of (2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide?
The InChIKey is MDOKZNHWAXXPBO-GOSISDBHSA-N. The full InChI is InChI=1S/C21H36N4O4/c1-4-6-8-18(5-2)21(27)25(10-7-9-24-11-13-28-14-12-24)16-20(26)22-19-15-17(3)29-23-19/h15,18H,4-14,16H2,1-3H3,(H,22,23,26)/t18-/m1/s1.
What are the key properties of (2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide?
(2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide has a molecular weight of 408.54 g/mol, XLogP of 2.69, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide is sourced from PubChem (CID 7258953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).