2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanamide

C14H30N2O3 — CID 112589105

IUPAC2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(C)(CCOCCOC(C)(C)C)C(N)=O
InChIInChI=1S/C14H30N2O3/c1-11(2)16-14(6,12(15)17)7-8-18-9-10-19-13(3,4)5/h11,16H,7-10H2,1-6H3,(H2,15,17)
InChIKeyFKECMFMRITZOAC-UHFFFAOYSA-N
MW274.40 g/mol
LogP1.45
Rot. Bonds9

About 2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanamide

2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanamide (PubChem CID 112589105) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanamide
PubChem CID112589105
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Name2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(C)(CCOCCOC(C)(C)C)C(N)=O
InChIInChI=1S/C14H30N2O3/c1-11(2)16-14(6,12(15)17)7-8-18-9-10-19-13(3,4)5/h11,16H,7-10H2,1-6H3,(H2,15,17)
InChIKeyFKECMFMRITZOAC-UHFFFAOYSA-N
XLogP1.45
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 51.45
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

2-methyl-2-(methylamino)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanamide
CID 112589029
ethyl 2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanoate
CID 115942549
4-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)butanamide
CID 66324174
5-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 106666736
ethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate
CID 104565270
5-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 106204688
2-amino-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide
CID 112589177
6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanamide
CID 116535472
4-methoxy-2,4-dimethyl-2-(propan-2-ylamino)pentanamide
CID 60788184
2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)propanoic acid
CID 115942578
4-(diethylamino)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64726179
2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoic acid
CID 112589171

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanamide?
The IUPAC name of 2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanamide (CID 112589105) is 2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanamide is CC(C)NC(C)(CCOCCOC(C)(C)C)C(N)=O.
What is the InChIKey of 2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanamide?
The InChIKey is FKECMFMRITZOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-11(2)16-14(6,12(15)17)7-8-18-9-10-19-13(3,4)5/h11,16H,7-10H2,1-6H3,(H2,15,17).
What are the key properties of 2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanamide?
2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanamide has a molecular weight of 274.40 g/mol, XLogP of 1.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 112589105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).