8-(2-aminoacetyl)-1-cyclohepta-1,3,6-trien-1-yl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;propane

C20H30N4O3 — CID 144940465

IUPAC8-(2-aminoacetyl)-1-cyclohepta-1,3,6-trien-1-yl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;propane
SMILESCCC.CN1C(=O)N(C2=CC=CCC=C2)C2(CCN(C(=O)CN)CC2)C1=O
InChIInChI=1S/C17H22N4O3.C3H8/c1-19-15(23)17(8-10-20(11-9-17)14(22)12-18)21(16(19)24)13-6-4-2-3-5-7-13;1-3-2/h2,4-7H,3,8-12,18H2,1H3;3H2,1-2H3
InChIKeyYPZWERMQJBSKHR-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.02
Rot. Bonds2

About 8-(2-aminoacetyl)-1-cyclohepta-1,3,6-trien-1-yl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;propane

8-(2-aminoacetyl)-1-cyclohepta-1,3,6-trien-1-yl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;propane (PubChem CID 144940465) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 8-(2-aminoacetyl)-1-cyclohepta-1,3,6-trien-1-yl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;propane.

Molecular Properties

Compound Name8-(2-aminoacetyl)-1-cyclohepta-1,3,6-trien-1-yl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;propane
PubChem CID144940465
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name8-(2-aminoacetyl)-1-cyclohepta-1,3,6-trien-1-yl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;propane
SMILESCCC.CN1C(=O)N(C2=CC=CCC=C2)C2(CCN(C(=O)CN)CC2)C1=O
InChIInChI=1S/C17H22N4O3.C3H8/c1-19-15(23)17(8-10-20(11-9-17)14(22)12-18)21(16(19)24)13-6-4-2-3-5-7-13;1-3-2/h2,4-7H,3,8-12,18H2,1H3;3H2,1-2H3
InChIKeyYPZWERMQJBSKHR-UHFFFAOYSA-N
XLogP2.02
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoacetyl)-1-cyclohepta-1,3,6-trien-1-yl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;propane?
The IUPAC name of 8-(2-aminoacetyl)-1-cyclohepta-1,3,6-trien-1-yl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;propane (CID 144940465) is 8-(2-aminoacetyl)-1-cyclohepta-1,3,6-trien-1-yl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;propane.
What is the SMILES notation for 8-(2-aminoacetyl)-1-cyclohepta-1,3,6-trien-1-yl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;propane?
The canonical SMILES for 8-(2-aminoacetyl)-1-cyclohepta-1,3,6-trien-1-yl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;propane is CCC.CN1C(=O)N(C2=CC=CCC=C2)C2(CCN(C(=O)CN)CC2)C1=O.
What is the InChIKey of 8-(2-aminoacetyl)-1-cyclohepta-1,3,6-trien-1-yl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;propane?
The InChIKey is YPZWERMQJBSKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3.C3H8/c1-19-15(23)17(8-10-20(11-9-17)14(22)12-18)21(16(19)24)13-6-4-2-3-5-7-13;1-3-2/h2,4-7H,3,8-12,18H2,1H3;3H2,1-2H3.
What are the key properties of 8-(2-aminoacetyl)-1-cyclohepta-1,3,6-trien-1-yl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;propane?
8-(2-aminoacetyl)-1-cyclohepta-1,3,6-trien-1-yl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;propane has a molecular weight of 374.49 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoacetyl)-1-cyclohepta-1,3,6-trien-1-yl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;propane is sourced from PubChem (CID 144940465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).