(2R)-N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide

C24H40N4O5 — CID 58619491

IUPAC(2R)-N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide
SMILESCCc1nc(C(=O)[C@H](CC)NC(=O)[C@@H](CC(=O)N2CCOCC2)CC(C)(C)CC(C)C)no1
InChIInChI=1S/C24H40N4O5/c1-7-18(21(30)22-26-19(8-2)33-27-22)25-23(31)17(15-24(5,6)14-16(3)4)13-20(29)28-9-11-32-12-10-28/h16-18H,7-15H2,1-6H3,(H,25,31)/t17-,18-/m0/s1
InChIKeyYPMPKBDBUJRLQH-ROUUACIJSA-N
MW464.61 g/mol
LogP3.04
Rot. Bonds12

About (2R)-N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide

(2R)-N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide (PubChem CID 58619491) has the molecular formula C24H40N4O5 and a molecular weight of 464.61 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide
PubChem CID58619491
Molecular FormulaC24H40N4O5
Molecular Weight464.61 g/mol
Exact Mass464.30
IUPAC Name(2R)-N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide
SMILESCCc1nc(C(=O)[C@H](CC)NC(=O)[C@@H](CC(=O)N2CCOCC2)CC(C)(C)CC(C)C)no1
InChIInChI=1S/C24H40N4O5/c1-7-18(21(30)22-26-19(8-2)33-27-22)25-23(31)17(15-24(5,6)14-16(3)4)13-20(29)28-9-11-32-12-10-28/h16-18H,7-15H2,1-6H3,(H,25,31)/t17-,18-/m0/s1
InChIKeyYPMPKBDBUJRLQH-ROUUACIJSA-N
XLogP3.04
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide?
The IUPAC name of (2R)-N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide (CID 58619491) is (2R)-N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide.
What is the SMILES notation for (2R)-N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide?
The canonical SMILES for (2R)-N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide is CCc1nc(C(=O)[C@H](CC)NC(=O)[C@@H](CC(=O)N2CCOCC2)CC(C)(C)CC(C)C)no1.
What is the InChIKey of (2R)-N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide?
The InChIKey is YPMPKBDBUJRLQH-ROUUACIJSA-N. The full InChI is InChI=1S/C24H40N4O5/c1-7-18(21(30)22-26-19(8-2)33-27-22)25-23(31)17(15-24(5,6)14-16(3)4)13-20(29)28-9-11-32-12-10-28/h16-18H,7-15H2,1-6H3,(H,25,31)/t17-,18-/m0/s1.
What are the key properties of (2R)-N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide?
(2R)-N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide has a molecular weight of 464.61 g/mol, XLogP of 3.04, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide is sourced from PubChem (CID 58619491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).