4-(oxan-2-ylmethoxy)-2-(propylamino)butanamide

C13H26N2O3 — CID 55144151

IUPAC4-(oxan-2-ylmethoxy)-2-(propylamino)butanamide
SMILESCCCNC(CCOCC1CCCCO1)C(N)=O
InChIInChI=1S/C13H26N2O3/c1-2-7-15-12(13(14)16)6-9-17-10-11-5-3-4-8-18-11/h11-12,15H,2-10H2,1H3,(H2,14,16)
InChIKeyZQSLZGNJALGIGP-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.82
Rot. Bonds9

About 4-(oxan-2-ylmethoxy)-2-(propylamino)butanamide

4-(oxan-2-ylmethoxy)-2-(propylamino)butanamide (PubChem CID 55144151) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-(oxan-2-ylmethoxy)-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-(oxan-2-ylmethoxy)-2-(propylamino)butanamide
PubChem CID55144151
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name4-(oxan-2-ylmethoxy)-2-(propylamino)butanamide
SMILESCCCNC(CCOCC1CCCCO1)C(N)=O
InChIInChI=1S/C13H26N2O3/c1-2-7-15-12(13(14)16)6-9-17-10-11-5-3-4-8-18-11/h11-12,15H,2-10H2,1H3,(H2,14,16)
InChIKeyZQSLZGNJALGIGP-UHFFFAOYSA-N
XLogP0.82
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(oxan-2-ylmethoxy)-2-(propan-2-ylamino)butanoate
CID 63040240
4-(oxolan-3-ylmethoxy)-2-(propylamino)butanamide
CID 55144720
2-amino-4-(oxan-2-ylmethoxy)butanamide
CID 63038916
4-cyclohexyloxy-2-(propylamino)butanamide
CID 63039498
4-cycloheptyloxy-2-(propylamino)butanamide
CID 63039984
3-(oxan-2-ylmethoxy)propanamide
CID 22444989
2-(oxolan-2-ylmethylamino)heptanamide
CID 61006217
oxan-2-ylmethyl 2-methylbutanoate
CID 78836820
4-(3-methylcyclohexyl)oxy-2-(propylamino)butanamide
CID 63041133
oxan-2-ylmethyl 3-(oxolan-2-ylmethoxy)propanoate
CID 78885532
N-ethyl-5-(oxan-2-ylmethoxy)pentan-1-amine
CID 62446418
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 107904862

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-ylmethoxy)-2-(propylamino)butanamide?
The IUPAC name of 4-(oxan-2-ylmethoxy)-2-(propylamino)butanamide (CID 55144151) is 4-(oxan-2-ylmethoxy)-2-(propylamino)butanamide.
What is the SMILES notation for 4-(oxan-2-ylmethoxy)-2-(propylamino)butanamide?
The canonical SMILES for 4-(oxan-2-ylmethoxy)-2-(propylamino)butanamide is CCCNC(CCOCC1CCCCO1)C(N)=O.
What is the InChIKey of 4-(oxan-2-ylmethoxy)-2-(propylamino)butanamide?
The InChIKey is ZQSLZGNJALGIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-2-7-15-12(13(14)16)6-9-17-10-11-5-3-4-8-18-11/h11-12,15H,2-10H2,1H3,(H2,14,16).
What are the key properties of 4-(oxan-2-ylmethoxy)-2-(propylamino)butanamide?
4-(oxan-2-ylmethoxy)-2-(propylamino)butanamide has a molecular weight of 258.36 g/mol, XLogP of 0.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-ylmethoxy)-2-(propylamino)butanamide is sourced from PubChem (CID 55144151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).