9-(4-aminobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

C16H30N4O3 — CID 134789697

IUPAC9-(4-aminobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESCC(C)NC(=O)N1CCOC2(C1)CCN(CC2)C(=O)CCCN
InChIInChI=1S/C16H30N4O3/c1-13(2)18-15(22)20-10-11-23-16(12-20)5-8-19(9-6-16)14(21)4-3-7-17/h13H,3-12,17H2,1-2H3,(H,18,22)
InChIKeyJRIDQQJYXXYNCP-UHFFFAOYSA-N
MW326.43 g/mol
LogP-0.80
Rot. Bonds4

About 9-(4-aminobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

9-(4-aminobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (PubChem CID 134789697) has the molecular formula C16H30N4O3 and a molecular weight of 326.43 g/mol. Its IUPAC name is 9-(4-aminobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound Name9-(4-aminobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
PubChem CID134789697
Molecular FormulaC16H30N4O3
Molecular Weight326.43 g/mol
Exact Mass326.23
IUPAC Name9-(4-aminobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESCC(C)NC(=O)N1CCOC2(C1)CCN(CC2)C(=O)CCCN
InChIInChI=1S/C16H30N4O3/c1-13(2)18-15(22)20-10-11-23-16(12-20)5-8-19(9-6-16)14(21)4-3-7-17/h13H,3-12,17H2,1-2H3,(H,18,22)
InChIKeyJRIDQQJYXXYNCP-UHFFFAOYSA-N
XLogP-0.80
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity420

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(4-aminobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of 9-(4-aminobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (CID 134789697) is 9-(4-aminobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for 9-(4-aminobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for 9-(4-aminobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is CC(C)NC(=O)N1CCOC2(C1)CCN(CC2)C(=O)CCCN.
What is the InChIKey of 9-(4-aminobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The InChIKey is JRIDQQJYXXYNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-13(2)18-15(22)20-10-11-23-16(12-20)5-8-19(9-6-16)14(21)4-3-7-17/h13H,3-12,17H2,1-2H3,(H,18,22).
What are the key properties of 9-(4-aminobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
9-(4-aminobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide has a molecular weight of 326.43 g/mol, XLogP of -0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-aminobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 134789697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).