4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanamide

C15H29N3O2 — CID 64709929

IUPAC4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanamide
SMILESCNC(C)(CC(C)N1CCOC2CCCCC21)C(N)=O
InChIInChI=1S/C15H29N3O2/c1-11(10-15(2,17-3)14(16)19)18-8-9-20-13-7-5-4-6-12(13)18/h11-13,17H,4-10H2,1-3H3,(H2,16,19)
InChIKeyAASDRIMPWQOSMN-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.87
Rot. Bonds5

About 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanamide

4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanamide (PubChem CID 64709929) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanamide.

Molecular Properties

Compound Name4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanamide
PubChem CID64709929
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanamide
SMILESCNC(C)(CC(C)N1CCOC2CCCCC21)C(N)=O
InChIInChI=1S/C15H29N3O2/c1-11(10-15(2,17-3)14(16)19)18-8-9-20-13-7-5-4-6-12(13)18/h11-13,17H,4-10H2,1-3H3,(H2,16,19)
InChIKeyAASDRIMPWQOSMN-UHFFFAOYSA-N
XLogP0.87
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanamide?
The IUPAC name of 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanamide (CID 64709929) is 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanamide.
What is the SMILES notation for 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanamide?
The canonical SMILES for 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanamide is CNC(C)(CC(C)N1CCOC2CCCCC21)C(N)=O.
What is the InChIKey of 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanamide?
The InChIKey is AASDRIMPWQOSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-11(10-15(2,17-3)14(16)19)18-8-9-20-13-7-5-4-6-12(13)18/h11-13,17H,4-10H2,1-3H3,(H2,16,19).
What are the key properties of 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanamide?
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanamide has a molecular weight of 283.42 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanamide is sourced from PubChem (CID 64709929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).