N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropanamide

C12H21NO3 — CID 86803320

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)NCC1CCC=CO1
InChIInChI=1S/C12H21NO3/c1-10(2)15-8-6-12(14)13-9-11-5-3-4-7-16-11/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,13,14)
InChIKeyWXLWNGGBKZORQW-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.61
Rot. Bonds6

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropanamide

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropanamide (PubChem CID 86803320) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropanamide
PubChem CID86803320
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)NCC1CCC=CO1
InChIInChI=1S/C12H21NO3/c1-10(2)15-8-6-12(14)13-9-11-5-3-4-7-16-11/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,13,14)
InChIKeyWXLWNGGBKZORQW-UHFFFAOYSA-N
XLogP1.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropanamide?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropanamide (CID 86803320) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropanamide?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropanamide is CC(C)OCCC(=O)NCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropanamide?
The InChIKey is WXLWNGGBKZORQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-10(2)15-8-6-12(14)13-9-11-5-3-4-7-16-11/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,13,14).
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropanamide?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropanamide has a molecular weight of 227.30 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropanamide is sourced from PubChem (CID 86803320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).