2-methyl-3-(oxan-4-ylmethoxy)-2-(propan-2-ylamino)propanamide

C13H26N2O3 — CID 62382112

IUPAC2-methyl-3-(oxan-4-ylmethoxy)-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(C)(COCC1CCOCC1)C(N)=O
InChIInChI=1S/C13H26N2O3/c1-10(2)15-13(3,12(14)16)9-18-8-11-4-6-17-7-5-11/h10-11,15H,4-9H2,1-3H3,(H2,14,16)
InChIKeyLNBUVOYZDDLHSN-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.67
Rot. Bonds7

About 2-methyl-3-(oxan-4-ylmethoxy)-2-(propan-2-ylamino)propanamide

2-methyl-3-(oxan-4-ylmethoxy)-2-(propan-2-ylamino)propanamide (PubChem CID 62382112) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-methyl-3-(oxan-4-ylmethoxy)-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-methyl-3-(oxan-4-ylmethoxy)-2-(propan-2-ylamino)propanamide
PubChem CID62382112
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-methyl-3-(oxan-4-ylmethoxy)-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(C)(COCC1CCOCC1)C(N)=O
InChIInChI=1S/C13H26N2O3/c1-10(2)15-13(3,12(14)16)9-18-8-11-4-6-17-7-5-11/h10-11,15H,4-9H2,1-3H3,(H2,14,16)
InChIKeyLNBUVOYZDDLHSN-UHFFFAOYSA-N
XLogP0.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxan-4-ylmethoxy)-2-(propan-2-ylamino)propanamide?
The IUPAC name of 2-methyl-3-(oxan-4-ylmethoxy)-2-(propan-2-ylamino)propanamide (CID 62382112) is 2-methyl-3-(oxan-4-ylmethoxy)-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 2-methyl-3-(oxan-4-ylmethoxy)-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 2-methyl-3-(oxan-4-ylmethoxy)-2-(propan-2-ylamino)propanamide is CC(C)NC(C)(COCC1CCOCC1)C(N)=O.
What is the InChIKey of 2-methyl-3-(oxan-4-ylmethoxy)-2-(propan-2-ylamino)propanamide?
The InChIKey is LNBUVOYZDDLHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(2)15-13(3,12(14)16)9-18-8-11-4-6-17-7-5-11/h10-11,15H,4-9H2,1-3H3,(H2,14,16).
What are the key properties of 2-methyl-3-(oxan-4-ylmethoxy)-2-(propan-2-ylamino)propanamide?
2-methyl-3-(oxan-4-ylmethoxy)-2-(propan-2-ylamino)propanamide has a molecular weight of 258.36 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxan-4-ylmethoxy)-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 62382112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).