2-methyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanamide

C13H26N2O3 — CID 55066400

IUPAC2-methyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanamide
SMILESCCCNC(C)(COCC1CCOCC1)C(N)=O
InChIInChI=1S/C13H26N2O3/c1-3-6-15-13(2,12(14)16)10-18-9-11-4-7-17-8-5-11/h11,15H,3-10H2,1-2H3,(H2,14,16)
InChIKeyURNQODZUZVVBRB-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.67
Rot. Bonds8

About 2-methyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanamide

2-methyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanamide (PubChem CID 55066400) 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-(propylamino)propanamide.

Molecular Properties

Compound Name2-methyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanamide
PubChem CID55066400
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-methyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanamide
SMILESCCCNC(C)(COCC1CCOCC1)C(N)=O
InChIInChI=1S/C13H26N2O3/c1-3-6-15-13(2,12(14)16)10-18-9-11-4-7-17-8-5-11/h11,15H,3-10H2,1-2H3,(H2,14,16)
InChIKeyURNQODZUZVVBRB-UHFFFAOYSA-N
XLogP0.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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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Related Compounds

2-methyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanoic acid
CID 62385992
3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanamide
CID 55066159
2-cyclopropyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanamide
CID 63920997
2-methyl-3-(oxan-4-ylmethoxy)-2-(propan-2-ylamino)propanamide
CID 62382112
methyl 2-cyclopropyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanoate
CID 63920996
oxan-4-ylmethyl carbamate
CID 134587773
2,2-dimethyl-3-(oxan-4-ylmethoxy)propan-1-amine
CID 79627779
2-methyl-2-(methylamino)-3-(oxan-4-ylmethoxy)propan-1-ol
CID 64808669
3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propylamino)propanamide
CID 64581749
2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylmethoxy)pentanamide
CID 64721587
2-(ethylamino)-2-methyl-3-(oxan-4-ylmethoxy)propanenitrile
CID 62384296
1-(oxan-4-ylmethoxy)-3-(propylamino)propan-2-ol
CID 62382435

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanamide?
The IUPAC name of 2-methyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanamide (CID 55066400) is 2-methyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanamide.
What is the SMILES notation for 2-methyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanamide?
The canonical SMILES for 2-methyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanamide is CCCNC(C)(COCC1CCOCC1)C(N)=O.
What is the InChIKey of 2-methyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanamide?
The InChIKey is URNQODZUZVVBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-6-15-13(2,12(14)16)10-18-9-11-4-7-17-8-5-11/h11,15H,3-10H2,1-2H3,(H2,14,16).
What are the key properties of 2-methyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanamide?
2-methyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanamide has a molecular weight of 258.36 g/mol, XLogP of 0.67, 8 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-(propylamino)propanamide is sourced from PubChem (CID 55066400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).