N-butan-2-yl-2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide

C15H29N3O — CID 102850222

IUPACN-butan-2-yl-2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide
SMILESCCC(C)NC(=O)CN1CCCC2(CCCNC2)C1
InChIInChI=1S/C15H29N3O/c1-3-13(2)17-14(19)10-18-9-5-7-15(12-18)6-4-8-16-11-15/h13,16H,3-12H2,1-2H3,(H,17,19)
InChIKeyMPIXOYJMPGZUHI-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.37
Rot. Bonds4

About N-butan-2-yl-2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide

N-butan-2-yl-2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide (PubChem CID 102850222) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-butan-2-yl-2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide
PubChem CID102850222
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-butan-2-yl-2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide
SMILESCCC(C)NC(=O)CN1CCCC2(CCCNC2)C1
InChIInChI=1S/C15H29N3O/c1-3-13(2)17-14(19)10-18-9-5-7-15(12-18)6-4-8-16-11-15/h13,16H,3-12H2,1-2H3,(H,17,19)
InChIKeyMPIXOYJMPGZUHI-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide (CID 102850222) is N-butan-2-yl-2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide is CCC(C)NC(=O)CN1CCCC2(CCCNC2)C1.
What is the InChIKey of N-butan-2-yl-2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide?
The InChIKey is MPIXOYJMPGZUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-13(2)17-14(19)10-18-9-5-7-15(12-18)6-4-8-16-11-15/h13,16H,3-12H2,1-2H3,(H,17,19).
What are the key properties of N-butan-2-yl-2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide?
N-butan-2-yl-2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide has a molecular weight of 267.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide is sourced from PubChem (CID 102850222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).