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

C21H37N4O4+ — CID 7258952

IUPAC(2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ium-4-ylpropyl)hexanamide
SMILESCCCC[C@@H](CC)C(=O)N(CCC[NH+]1CCOCC1)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)/p+1/t18-/m1/s1
InChIKeyMDOKZNHWAXXPBO-GOSISDBHSA-O
MW409.55 g/mol
LogP1.27
Rot. Bonds12

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

(2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ium-4-ylpropyl)hexanamide (PubChem CID 7258952) has the molecular formula C21H37N4O4+ and a molecular weight of 409.55 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-ium-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-ium-4-ylpropyl)hexanamide
PubChem CID7258952
Molecular FormulaC21H37N4O4+
Molecular Weight409.55 g/mol
Exact Mass409.28
IUPAC Name(2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ium-4-ylpropyl)hexanamide
SMILESCCCC[C@@H](CC)C(=O)N(CCC[NH+]1CCOCC1)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)/p+1/t18-/m1/s1
InChIKeyMDOKZNHWAXXPBO-GOSISDBHSA-O
XLogP1.27
TPSA89.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide
CID 7258953
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ium-4-ylpropyl)cyclopentanecarboxamide
CID 7360968
4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide
CID 7440055
N-butyl-2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 24715040
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)hexanamide
CID 7297527
2-[[(2S)-2-ethylhexanoyl]-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]ethyl-dimethylazanium
CID 7283650
3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7404873
(2S)-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide
CID 7413286
4-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide
CID 7262304
N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 5121720
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-pentylpropanamide
CID 24715041

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-ium-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-ium-4-ylpropyl)hexanamide (CID 7258952) is (2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ium-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-ium-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-ium-4-ylpropyl)hexanamide is CCCC[C@@H](CC)C(=O)N(CCC[NH+]1CCOCC1)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-ium-4-ylpropyl)hexanamide?
The InChIKey is MDOKZNHWAXXPBO-GOSISDBHSA-O. 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)/p+1/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-ium-4-ylpropyl)hexanamide?
(2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ium-4-ylpropyl)hexanamide has a molecular weight of 409.55 g/mol, XLogP of 1.27, 12 rotatable bonds, 2 hydrogen bond donors, and 5 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-ium-4-ylpropyl)hexanamide is sourced from PubChem (CID 7258952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).