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

C25H40N4O5 — CID 10480122

IUPAC(2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide
SMILESCC[C@@H](NC(=O)[C@H](CC(=O)N1CCOCC1)CC(C)(C)CC(C)C)C(=O)c1nc(C2CC2)no1
InChIInChI=1S/C25H40N4O5/c1-6-19(21(31)24-27-22(28-34-24)17-7-8-17)26-23(32)18(15-25(4,5)14-16(2)3)13-20(30)29-9-11-33-12-10-29/h16-19H,6-15H2,1-5H3,(H,26,32)/t18-,19-/m1/s1
InChIKeyARZRMTIZLOWHGL-RTBURBONSA-N
MW476.62 g/mol
LogP3.35
Rot. Bonds12

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

(2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide (PubChem CID 10480122) has the molecular formula C25H40N4O5 and a molecular weight of 476.62 g/mol. Its IUPAC name is (2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide
PubChem CID10480122
Molecular FormulaC25H40N4O5
Molecular Weight476.62 g/mol
Exact Mass476.30
IUPAC Name(2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide
SMILESCC[C@@H](NC(=O)[C@H](CC(=O)N1CCOCC1)CC(C)(C)CC(C)C)C(=O)c1nc(C2CC2)no1
InChIInChI=1S/C25H40N4O5/c1-6-19(21(31)24-27-22(28-34-24)17-7-8-17)26-23(32)18(15-25(4,5)14-16(2)3)13-20(30)29-9-11-33-12-10-29/h16-19H,6-15H2,1-5H3,(H,26,32)/t18-,19-/m1/s1
InChIKeyARZRMTIZLOWHGL-RTBURBONSA-N
XLogP3.35
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-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 (2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide?
The IUPAC name of (2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide (CID 10480122) is (2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide.
What is the SMILES notation for (2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide?
The canonical SMILES for (2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide is CC[C@@H](NC(=O)[C@H](CC(=O)N1CCOCC1)CC(C)(C)CC(C)C)C(=O)c1nc(C2CC2)no1.
What is the InChIKey of (2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide?
The InChIKey is ARZRMTIZLOWHGL-RTBURBONSA-N. The full InChI is InChI=1S/C25H40N4O5/c1-6-19(21(31)24-27-22(28-34-24)17-7-8-17)26-23(32)18(15-25(4,5)14-16(2)3)13-20(30)29-9-11-33-12-10-29/h16-19H,6-15H2,1-5H3,(H,26,32)/t18-,19-/m1/s1.
What are the key properties of (2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide?
(2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide has a molecular weight of 476.62 g/mol, XLogP of 3.35, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide is sourced from PubChem (CID 10480122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).