N-(2-methoxy-3-methylbutyl)-3,4-dihydro-2H-pyran-6-carboxamide

C12H21NO3 — CID 102558787

IUPACN-(2-methoxy-3-methylbutyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCOC(CNC(=O)C1=CCCCO1)C(C)C
InChIInChI=1S/C12H21NO3/c1-9(2)11(15-3)8-13-12(14)10-6-4-5-7-16-10/h6,9,11H,4-5,7-8H2,1-3H3,(H,13,14)
InChIKeyAZJOEYVRUDGSLB-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.47
Rot. Bonds5

About N-(2-methoxy-3-methylbutyl)-3,4-dihydro-2H-pyran-6-carboxamide

N-(2-methoxy-3-methylbutyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 102558787) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is N-(2-methoxy-3-methylbutyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-3-methylbutyl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID102558787
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-(2-methoxy-3-methylbutyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCOC(CNC(=O)C1=CCCCO1)C(C)C
InChIInChI=1S/C12H21NO3/c1-9(2)11(15-3)8-13-12(14)10-6-4-5-7-16-10/h6,9,11H,4-5,7-8H2,1-3H3,(H,13,14)
InChIKeyAZJOEYVRUDGSLB-UHFFFAOYSA-N
XLogP1.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-3-methylbutyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-(2-methoxy-3-methylbutyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 102558787) is N-(2-methoxy-3-methylbutyl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-(2-methoxy-3-methylbutyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-(2-methoxy-3-methylbutyl)-3,4-dihydro-2H-pyran-6-carboxamide is COC(CNC(=O)C1=CCCCO1)C(C)C.
What is the InChIKey of N-(2-methoxy-3-methylbutyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is AZJOEYVRUDGSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(2)11(15-3)8-13-12(14)10-6-4-5-7-16-10/h6,9,11H,4-5,7-8H2,1-3H3,(H,13,14).
What are the key properties of N-(2-methoxy-3-methylbutyl)-3,4-dihydro-2H-pyran-6-carboxamide?
N-(2-methoxy-3-methylbutyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 227.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-3-methylbutyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 102558787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).