4-(2-aminoethyl)-N-cyclohexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-2,2,7-trimethyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide

C49H74N6O7 — CID 158523508

About 4-(2-aminoethyl)-N-cyclohexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-2,2,7-trimethyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide

4-(2-aminoethyl)-N-cyclohexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-2,2,7-trimethyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide (PubChem CID 158523508) has the molecular formula C49H74N6O7 and a molecular weight of 859.17 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-cyclohexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-2,2,7-trimethyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide.

Molecular Properties

• Compound Name: 4-(2-aminoethyl)-N-cyclohexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-2,2,7-trimethyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide
• PubChem CID: 158523508
• Molecular Formula: C49H74N6O7
• Molecular Weight: 859.17 g/mol
• Exact Mass: 858.56
• IUPAC Name: 4-(2-aminoethyl)-N-cyclohexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-2,2,7-trimethyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide
• SMILES: CCC(=O)NCCN1C(=O)C(C)(C)Oc2cc(C)c(C(=O)N(C(C)C)C3CCCCC3)cc21.Cc1cc2c(cc1C(=O)N(C(C)C)C1CCCCC1)N(CCN)C(=O)C(C)(C)O2
• InChI: InChI=1S/C26H39N3O4.C23H35N3O3/c1-7-23(30)27-13-14-28-21-16-20(18(4)15-22(21)33-26(5,6)25(28)32)24(31)29(17(2)3)19-11-9-8-10-12-19;1-15(2)26(17-9-7-6-8-10-17)21(27)18-14-19-20(13-16(18)3)29-23(4,5)22(28)25(19)12-11-24/h15-17,19H,7-14H2,1-6H3,(H,27,30);13-15,17H,6-12,24H2,1-5H3
• InChIKey: HMMWAZDRSLKERL-UHFFFAOYSA-N
• XLogP: 7.85
• TPSA: 154.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.17
LogP ≤ 5	7.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-cyclohexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-2,2,7-trimethyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide?

The IUPAC name of 4-(2-aminoethyl)-N-cyclohexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-2,2,7-trimethyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide (CID 158523508) is 4-(2-aminoethyl)-N-cyclohexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-2,2,7-trimethyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide.

What is the SMILES notation for 4-(2-aminoethyl)-N-cyclohexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-2,2,7-trimethyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide?

The canonical SMILES for 4-(2-aminoethyl)-N-cyclohexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-2,2,7-trimethyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide is CCC(=O)NCCN1C(=O)C(C)(C)Oc2cc(C)c(C(=O)N(C(C)C)C3CCCCC3)cc21.Cc1cc2c(cc1C(=O)N(C(C)C)C1CCCCC1)N(CCN)C(=O)C(C)(C)O2.

What is the InChIKey of 4-(2-aminoethyl)-N-cyclohexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-2,2,7-trimethyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide?

The InChIKey is HMMWAZDRSLKERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O4.C23H35N3O3/c1-7-23(30)27-13-14-28-21-16-20(18(4)15-22(21)33-26(5,6)25(28)32)24(31)29(17(2)3)19-11-9-8-10-12-19;1-15(2)26(17-9-7-6-8-10-17)21(27)18-14-19-20(13-16(18)3)29-23(4,5)22(28)25(19)12-11-24/h15-17,19H,7-14H2,1-6H3,(H,27,30);13-15,17H,6-12,24H2,1-5H3.

What are the key properties of 4-(2-aminoethyl)-N-cyclohexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-2,2,7-trimethyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide?

4-(2-aminoethyl)-N-cyclohexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-2,2,7-trimethyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide has a molecular weight of 859.17 g/mol, XLogP of 7.85, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-aminoethyl)-N-cyclohexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-2,2,7-trimethyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 158523508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).