N-[6-[(4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carbonyl)amino]hexyl]-4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carboxamide

C20H34N4O4 — CID 22101599

IUPACN-[6-[(4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carbonyl)amino]hexyl]-4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carboxamide
SMILESCC1(C)CCOC(C(=O)NCCCCCCNC(=O)C2=NC(C)(C)CCO2)=N1
InChIInChI=1S/C20H34N4O4/c1-19(2)9-13-27-17(23-19)15(25)21-11-7-5-6-8-12-22-16(26)18-24-20(3,4)10-14-28-18/h5-14H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyPYRFPJUPVMGAIT-UHFFFAOYSA-N
MW394.52 g/mol
LogP1.97
Rot. Bonds9

About N-[6-[(4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carbonyl)amino]hexyl]-4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carboxamide

N-[6-[(4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carbonyl)amino]hexyl]-4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carboxamide (PubChem CID 22101599) has the molecular formula C20H34N4O4 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[6-[(4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carbonyl)amino]hexyl]-4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carbonyl)amino]hexyl]-4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carboxamide
PubChem CID22101599
Molecular FormulaC20H34N4O4
Molecular Weight394.52 g/mol
Exact Mass394.26
IUPAC NameN-[6-[(4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carbonyl)amino]hexyl]-4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carboxamide
SMILESCC1(C)CCOC(C(=O)NCCCCCCNC(=O)C2=NC(C)(C)CCO2)=N1
InChIInChI=1S/C20H34N4O4/c1-19(2)9-13-27-17(23-19)15(25)21-11-7-5-6-8-12-22-16(26)18-24-20(3,4)10-14-28-18/h5-14H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyPYRFPJUPVMGAIT-UHFFFAOYSA-N
XLogP1.97
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[6-[(4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carbonyl)amino]hexyl]-4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carboxamide with MolForge

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Related Compounds

N-[6-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)hexyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 22101601
N-[8-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)octyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 22101618
N-[10-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)decyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 22101620

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carbonyl)amino]hexyl]-4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carboxamide?
The IUPAC name of N-[6-[(4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carbonyl)amino]hexyl]-4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carboxamide (CID 22101599) is N-[6-[(4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carbonyl)amino]hexyl]-4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carboxamide.
What is the SMILES notation for N-[6-[(4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carbonyl)amino]hexyl]-4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carboxamide?
The canonical SMILES for N-[6-[(4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carbonyl)amino]hexyl]-4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carboxamide is CC1(C)CCOC(C(=O)NCCCCCCNC(=O)C2=NC(C)(C)CCO2)=N1.
What is the InChIKey of N-[6-[(4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carbonyl)amino]hexyl]-4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carboxamide?
The InChIKey is PYRFPJUPVMGAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O4/c1-19(2)9-13-27-17(23-19)15(25)21-11-7-5-6-8-12-22-16(26)18-24-20(3,4)10-14-28-18/h5-14H2,1-4H3,(H,21,25)(H,22,26).
What are the key properties of N-[6-[(4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carbonyl)amino]hexyl]-4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carboxamide?
N-[6-[(4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carbonyl)amino]hexyl]-4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carbonyl)amino]hexyl]-4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carboxamide is sourced from PubChem (CID 22101599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).