N,N,4-trimethyl-3-[2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide

C19H27N5O4 — CID 56866855

About N,N,4-trimethyl-3-[2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide

N,N,4-trimethyl-3-[2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide (PubChem CID 56866855) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is N,N,4-trimethyl-3-[2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide.

Molecular Properties

• Compound Name: N,N,4-trimethyl-3-[2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
• PubChem CID: 56866855
• Molecular Formula: C19H27N5O4
• Molecular Weight: 389.46 g/mol
• Exact Mass: 389.21
• IUPAC Name: N,N,4-trimethyl-3-[2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
• SMILES: CN(C)C(=O)c1ccc2c(c1)N(C)C(CC(=O)NCCN1CCNC1=O)CO2
• InChI: InChI=1S/C19H27N5O4/c1-22(2)18(26)13-4-5-16-15(10-13)23(3)14(12-28-16)11-17(25)20-6-8-24-9-7-21-19(24)27/h4-5,10,14H,6-9,11-12H2,1-3H3,(H,20,25)(H,21,27)
• InChIKey: LWRVASQBYSZFIZ-UHFFFAOYSA-N
• XLogP: 0.12
• TPSA: 94.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.46
LogP ≤ 5	0.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-[2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide?

The IUPAC name of N,N,4-trimethyl-3-[2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide (CID 56866855) is N,N,4-trimethyl-3-[2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide.

What is the SMILES notation for N,N,4-trimethyl-3-[2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide?

The canonical SMILES for N,N,4-trimethyl-3-[2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide is CN(C)C(=O)c1ccc2c(c1)N(C)C(CC(=O)NCCN1CCNC1=O)CO2.

What is the InChIKey of N,N,4-trimethyl-3-[2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide?

The InChIKey is LWRVASQBYSZFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4/c1-22(2)18(26)13-4-5-16-15(10-13)23(3)14(12-28-16)11-17(25)20-6-8-24-9-7-21-19(24)27/h4-5,10,14H,6-9,11-12H2,1-3H3,(H,20,25)(H,21,27).

What are the key properties of N,N,4-trimethyl-3-[2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide?

N,N,4-trimethyl-3-[2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,4-trimethyl-3-[2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 56866855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).