7-(2-aminoacetyl)-N-[1-(cyclopropylamino)-2-hydroxy-3-methyl-1-oxohexan-3-yl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide

C24H40N4O4 — CID 143787429

IUPAC7-(2-aminoacetyl)-N-[1-(cyclopropylamino)-2-hydroxy-3-methyl-1-oxohexan-3-yl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide
SMILESCCCC(C)(NC(=O)C1CC2(CN1C(=O)CN)C(C)(C)C21CCC1)C(O)C(=O)NC1CC1
InChIInChI=1S/C24H40N4O4/c1-5-9-22(4,18(30)20(32)26-15-7-8-15)27-19(31)16-12-24(14-28(16)17(29)13-25)21(2,3)23(24)10-6-11-23/h15-16,18,30H,5-14,25H2,1-4H3,(H,26,32)(H,27,31)
InChIKeyXLQHMGWXJPBUFJ-UHFFFAOYSA-N
MW448.61 g/mol
LogP1.06
Rot. Bonds8

About 7-(2-aminoacetyl)-N-[1-(cyclopropylamino)-2-hydroxy-3-methyl-1-oxohexan-3-yl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide

7-(2-aminoacetyl)-N-[1-(cyclopropylamino)-2-hydroxy-3-methyl-1-oxohexan-3-yl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide (PubChem CID 143787429) has the molecular formula C24H40N4O4 and a molecular weight of 448.61 g/mol. Its IUPAC name is 7-(2-aminoacetyl)-N-[1-(cyclopropylamino)-2-hydroxy-3-methyl-1-oxohexan-3-yl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide.

Molecular Properties

Compound Name7-(2-aminoacetyl)-N-[1-(cyclopropylamino)-2-hydroxy-3-methyl-1-oxohexan-3-yl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide
PubChem CID143787429
Molecular FormulaC24H40N4O4
Molecular Weight448.61 g/mol
Exact Mass448.30
IUPAC Name7-(2-aminoacetyl)-N-[1-(cyclopropylamino)-2-hydroxy-3-methyl-1-oxohexan-3-yl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide
SMILESCCCC(C)(NC(=O)C1CC2(CN1C(=O)CN)C(C)(C)C21CCC1)C(O)C(=O)NC1CC1
InChIInChI=1S/C24H40N4O4/c1-5-9-22(4,18(30)20(32)26-15-7-8-15)27-19(31)16-12-24(14-28(16)17(29)13-25)21(2,3)23(24)10-6-11-23/h15-16,18,30H,5-14,25H2,1-4H3,(H,26,32)(H,27,31)
InChIKeyXLQHMGWXJPBUFJ-UHFFFAOYSA-N
XLogP1.06
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 7-(2-aminoacetyl)-N-[1-(cyclopropylamino)-2-hydroxy-3-methyl-1-oxohexan-3-yl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoacetyl)-N-[1-(cyclopropylamino)-2-hydroxy-3-methyl-1-oxohexan-3-yl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide?
The IUPAC name of 7-(2-aminoacetyl)-N-[1-(cyclopropylamino)-2-hydroxy-3-methyl-1-oxohexan-3-yl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide (CID 143787429) is 7-(2-aminoacetyl)-N-[1-(cyclopropylamino)-2-hydroxy-3-methyl-1-oxohexan-3-yl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide.
What is the SMILES notation for 7-(2-aminoacetyl)-N-[1-(cyclopropylamino)-2-hydroxy-3-methyl-1-oxohexan-3-yl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide?
The canonical SMILES for 7-(2-aminoacetyl)-N-[1-(cyclopropylamino)-2-hydroxy-3-methyl-1-oxohexan-3-yl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide is CCCC(C)(NC(=O)C1CC2(CN1C(=O)CN)C(C)(C)C21CCC1)C(O)C(=O)NC1CC1.
What is the InChIKey of 7-(2-aminoacetyl)-N-[1-(cyclopropylamino)-2-hydroxy-3-methyl-1-oxohexan-3-yl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide?
The InChIKey is XLQHMGWXJPBUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O4/c1-5-9-22(4,18(30)20(32)26-15-7-8-15)27-19(31)16-12-24(14-28(16)17(29)13-25)21(2,3)23(24)10-6-11-23/h15-16,18,30H,5-14,25H2,1-4H3,(H,26,32)(H,27,31).
What are the key properties of 7-(2-aminoacetyl)-N-[1-(cyclopropylamino)-2-hydroxy-3-methyl-1-oxohexan-3-yl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide?
7-(2-aminoacetyl)-N-[1-(cyclopropylamino)-2-hydroxy-3-methyl-1-oxohexan-3-yl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide has a molecular weight of 448.61 g/mol, XLogP of 1.06, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoacetyl)-N-[1-(cyclopropylamino)-2-hydroxy-3-methyl-1-oxohexan-3-yl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide is sourced from PubChem (CID 143787429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).