6-methyl-N-[2-[(6-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide

C14H22N4O4 — CID 67764363

IUPAC6-methyl-N-[2-[(6-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESCC1CCN=C(C(=O)NCCNC(=O)C2=NCCC(C)O2)O1
InChIInChI=1S/C14H22N4O4/c1-9-3-5-17-13(21-9)11(19)15-7-8-16-12(20)14-18-6-4-10(2)22-14/h9-10H,3-8H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyGQCQYTMAMWKBGJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP-0.37
Rot. Bonds5

About 6-methyl-N-[2-[(6-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide

6-methyl-N-[2-[(6-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (PubChem CID 67764363) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 6-methyl-N-[2-[(6-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-[(6-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
PubChem CID67764363
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Name6-methyl-N-[2-[(6-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESCC1CCN=C(C(=O)NCCNC(=O)C2=NCCC(C)O2)O1
InChIInChI=1S/C14H22N4O4/c1-9-3-5-17-13(21-9)11(19)15-7-8-16-12(20)14-18-6-4-10(2)22-14/h9-10H,3-8H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyGQCQYTMAMWKBGJ-UHFFFAOYSA-N
XLogP-0.37
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-[(6-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The IUPAC name of 6-methyl-N-[2-[(6-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (CID 67764363) is 6-methyl-N-[2-[(6-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-[(6-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[2-[(6-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is CC1CCN=C(C(=O)NCCNC(=O)C2=NCCC(C)O2)O1.
What is the InChIKey of 6-methyl-N-[2-[(6-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The InChIKey is GQCQYTMAMWKBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-9-3-5-17-13(21-9)11(19)15-7-8-16-12(20)14-18-6-4-10(2)22-14/h9-10H,3-8H2,1-2H3,(H,15,19)(H,16,20).
What are the key properties of 6-methyl-N-[2-[(6-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
6-methyl-N-[2-[(6-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-[(6-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is sourced from PubChem (CID 67764363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).