2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-(2-methylpropyl)propanamide

C16H30N2O3 — CID 115733463

IUPAC2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H30N2O3/c1-12(2)11-17-15(19)13(3)18-14-4-7-21-16(10-14)5-8-20-9-6-16/h12-14,18H,4-11H2,1-3H3,(H,17,19)
InChIKeySLFDMHJVEKVXAM-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.46
Rot. Bonds5

About 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-(2-methylpropyl)propanamide

2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-(2-methylpropyl)propanamide (PubChem CID 115733463) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-(2-methylpropyl)propanamide
PubChem CID115733463
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H30N2O3/c1-12(2)11-17-15(19)13(3)18-14-4-7-21-16(10-14)5-8-20-9-6-16/h12-14,18H,4-11H2,1-3H3,(H,17,19)
InChIKeySLFDMHJVEKVXAM-UHFFFAOYSA-N
XLogP1.46
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-(2-methylpropyl)propanamide (CID 115733463) is 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)NC1CCOC2(CCOCC2)C1.
What is the InChIKey of 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-(2-methylpropyl)propanamide?
The InChIKey is SLFDMHJVEKVXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(2)11-17-15(19)13(3)18-14-4-7-21-16(10-14)5-8-20-9-6-16/h12-14,18H,4-11H2,1-3H3,(H,17,19).
What are the key properties of 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-(2-methylpropyl)propanamide?
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-(2-methylpropyl)propanamide has a molecular weight of 298.43 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 115733463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).