2-amino-3-methyl-N-(6-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pentanamide

C16H27N3O2 — CID 90968486

IUPAC2-amino-3-methyl-N-(6-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pentanamide
SMILESCCC(C)C(N)C(=O)NC1=CCCC=C1N1CCOCC1
InChIInChI=1S/C16H27N3O2/c1-3-12(2)15(17)16(20)18-13-6-4-5-7-14(13)19-8-10-21-11-9-19/h6-7,12,15H,3-5,8-11,17H2,1-2H3,(H,18,20)
InChIKeyJUQQGMFGOMMPOV-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.37
Rot. Bonds5

About 2-amino-3-methyl-N-(6-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pentanamide

2-amino-3-methyl-N-(6-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pentanamide (PubChem CID 90968486) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(6-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(6-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pentanamide
PubChem CID90968486
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-amino-3-methyl-N-(6-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pentanamide
SMILESCCC(C)C(N)C(=O)NC1=CCCC=C1N1CCOCC1
InChIInChI=1S/C16H27N3O2/c1-3-12(2)15(17)16(20)18-13-6-4-5-7-14(13)19-8-10-21-11-9-19/h6-7,12,15H,3-5,8-11,17H2,1-2H3,(H,18,20)
InChIKeyJUQQGMFGOMMPOV-UHFFFAOYSA-N
XLogP1.37
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-methyl-N-(6-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(6-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pentanamide?
The IUPAC name of 2-amino-3-methyl-N-(6-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pentanamide (CID 90968486) is 2-amino-3-methyl-N-(6-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(6-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-(6-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pentanamide is CCC(C)C(N)C(=O)NC1=CCCC=C1N1CCOCC1.
What is the InChIKey of 2-amino-3-methyl-N-(6-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pentanamide?
The InChIKey is JUQQGMFGOMMPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-12(2)15(17)16(20)18-13-6-4-5-7-14(13)19-8-10-21-11-9-19/h6-7,12,15H,3-5,8-11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-3-methyl-N-(6-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pentanamide?
2-amino-3-methyl-N-(6-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pentanamide has a molecular weight of 293.41 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(6-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pentanamide is sourced from PubChem (CID 90968486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).