2-methyl-N-[[6-[(2-methylprop-2-enoylamino)methyl]-2-oxo-1,3-diazinan-4-yl]methyl]prop-2-enamide

C14H22N4O3 — CID 19767330

IUPAC2-methyl-N-[[6-[(2-methylprop-2-enoylamino)methyl]-2-oxo-1,3-diazinan-4-yl]methyl]prop-2-enamide
SMILESC=C(C)C(=O)NCC1CC(CNC(=O)C(=C)C)NC(=O)N1
InChIInChI=1S/C14H22N4O3/c1-8(2)12(19)15-6-10-5-11(18-14(21)17-10)7-16-13(20)9(3)4/h10-11H,1,3,5-7H2,2,4H3,(H,15,19)(H,16,20)(H2,17,18,21)
InChIKeyRBHYQHDUVOAJSO-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.19
Rot. Bonds6

About 2-methyl-N-[[6-[(2-methylprop-2-enoylamino)methyl]-2-oxo-1,3-diazinan-4-yl]methyl]prop-2-enamide

2-methyl-N-[[6-[(2-methylprop-2-enoylamino)methyl]-2-oxo-1,3-diazinan-4-yl]methyl]prop-2-enamide (PubChem CID 19767330) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-methyl-N-[[6-[(2-methylprop-2-enoylamino)methyl]-2-oxo-1,3-diazinan-4-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[[6-[(2-methylprop-2-enoylamino)methyl]-2-oxo-1,3-diazinan-4-yl]methyl]prop-2-enamide
PubChem CID19767330
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-methyl-N-[[6-[(2-methylprop-2-enoylamino)methyl]-2-oxo-1,3-diazinan-4-yl]methyl]prop-2-enamide
SMILESC=C(C)C(=O)NCC1CC(CNC(=O)C(=C)C)NC(=O)N1
InChIInChI=1S/C14H22N4O3/c1-8(2)12(19)15-6-10-5-11(18-14(21)17-10)7-16-13(20)9(3)4/h10-11H,1,3,5-7H2,2,4H3,(H,15,19)(H,16,20)(H2,17,18,21)
InChIKeyRBHYQHDUVOAJSO-UHFFFAOYSA-N
XLogP-0.19
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-[(2-methylprop-2-enoylamino)methyl]-2-oxo-1,3-diazinan-4-yl]methyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[[6-[(2-methylprop-2-enoylamino)methyl]-2-oxo-1,3-diazinan-4-yl]methyl]prop-2-enamide (CID 19767330) is 2-methyl-N-[[6-[(2-methylprop-2-enoylamino)methyl]-2-oxo-1,3-diazinan-4-yl]methyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[[6-[(2-methylprop-2-enoylamino)methyl]-2-oxo-1,3-diazinan-4-yl]methyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[[6-[(2-methylprop-2-enoylamino)methyl]-2-oxo-1,3-diazinan-4-yl]methyl]prop-2-enamide is C=C(C)C(=O)NCC1CC(CNC(=O)C(=C)C)NC(=O)N1.
What is the InChIKey of 2-methyl-N-[[6-[(2-methylprop-2-enoylamino)methyl]-2-oxo-1,3-diazinan-4-yl]methyl]prop-2-enamide?
The InChIKey is RBHYQHDUVOAJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-8(2)12(19)15-6-10-5-11(18-14(21)17-10)7-16-13(20)9(3)4/h10-11H,1,3,5-7H2,2,4H3,(H,15,19)(H,16,20)(H2,17,18,21).
What are the key properties of 2-methyl-N-[[6-[(2-methylprop-2-enoylamino)methyl]-2-oxo-1,3-diazinan-4-yl]methyl]prop-2-enamide?
2-methyl-N-[[6-[(2-methylprop-2-enoylamino)methyl]-2-oxo-1,3-diazinan-4-yl]methyl]prop-2-enamide has a molecular weight of 294.36 g/mol, XLogP of -0.19, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-[(2-methylprop-2-enoylamino)methyl]-2-oxo-1,3-diazinan-4-yl]methyl]prop-2-enamide is sourced from PubChem (CID 19767330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).