4-methoxy-N-propan-2-ylcubane-1-carboxamide

C13H17NO2 — CID 156622220

IUPAC4-methoxy-N-propan-2-ylcubane-1-carboxamide
SMILESCOC12C3C4C1C1C2C3C41C(=O)NC(C)C
InChIInChI=1S/C13H17NO2/c1-4(2)14-11(15)12-5-8-6(12)10-7(12)9(5)13(8,10)16-3/h4-10H,1-3H3,(H,14,15)
InChIKeyBAKDMRFIACGYFJ-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.65
Rot. Bonds3

About 4-methoxy-N-propan-2-ylcubane-1-carboxamide

4-methoxy-N-propan-2-ylcubane-1-carboxamide (PubChem CID 156622220) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-methoxy-N-propan-2-ylcubane-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-propan-2-ylcubane-1-carboxamide
PubChem CID156622220
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-methoxy-N-propan-2-ylcubane-1-carboxamide
SMILESCOC12C3C4C1C1C2C3C41C(=O)NC(C)C
InChIInChI=1S/C13H17NO2/c1-4(2)14-11(15)12-5-8-6(12)10-7(12)9(5)13(8,10)16-3/h4-10H,1-3H3,(H,14,15)
InChIKeyBAKDMRFIACGYFJ-UHFFFAOYSA-N
XLogP0.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-propan-2-ylcubane-1-carboxamide?
The IUPAC name of 4-methoxy-N-propan-2-ylcubane-1-carboxamide (CID 156622220) is 4-methoxy-N-propan-2-ylcubane-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-propan-2-ylcubane-1-carboxamide?
The canonical SMILES for 4-methoxy-N-propan-2-ylcubane-1-carboxamide is COC12C3C4C1C1C2C3C41C(=O)NC(C)C.
What is the InChIKey of 4-methoxy-N-propan-2-ylcubane-1-carboxamide?
The InChIKey is BAKDMRFIACGYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4(2)14-11(15)12-5-8-6(12)10-7(12)9(5)13(8,10)16-3/h4-10H,1-3H3,(H,14,15).
What are the key properties of 4-methoxy-N-propan-2-ylcubane-1-carboxamide?
4-methoxy-N-propan-2-ylcubane-1-carboxamide has a molecular weight of 219.28 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-propan-2-ylcubane-1-carboxamide is sourced from PubChem (CID 156622220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).