2-amino-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide

C15H24N2O2 — CID 63040659

IUPAC2-amino-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide
SMILESCCC(C)(C)c1ccc(OCCC(N)C(N)=O)cc1
InChIInChI=1S/C15H24N2O2/c1-4-15(2,3)11-5-7-12(8-6-11)19-10-9-13(16)14(17)18/h5-8,13H,4,9-10,16H2,1-3H3,(H2,17,18)
InChIKeyQIUIEANUODCOCK-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.96
Rot. Bonds7

About 2-amino-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide

2-amino-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide (PubChem CID 63040659) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide.

Molecular Properties

Compound Name2-amino-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide
PubChem CID63040659
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-amino-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide
SMILESCCC(C)(C)c1ccc(OCCC(N)C(N)=O)cc1
InChIInChI=1S/C15H24N2O2/c1-4-15(2,3)11-5-7-12(8-6-11)19-10-9-13(16)14(17)18/h5-8,13H,4,9-10,16H2,1-3H3,(H2,17,18)
InChIKeyQIUIEANUODCOCK-UHFFFAOYSA-N
XLogP1.96
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide
CID 63040484
2-amino-4-(4-methylsulfonylphenoxy)butanamide
CID 63035136
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
hydrazinyl 3-[4-(2-methylbutan-2-yl)phenoxy]propanoate
CID 66336904
[4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 22684437
4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine
CID 63476133
ethyl 2-amino-4-(4-methylphenoxy)butanoate
CID 63041349
2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethanamine
CID 28749749
2-[2-[2-[2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 71322665
5-[4-(2-methylbutan-2-yl)phenoxy]pentanenitrile
CID 60673565
(2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol
CID 9159137
3-(aminomethyl)-6-[4-(2-methylbutan-2-yl)phenoxy]hexan-3-ol
CID 106811541

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide?
The IUPAC name of 2-amino-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide (CID 63040659) is 2-amino-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide.
What is the SMILES notation for 2-amino-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide?
The canonical SMILES for 2-amino-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide is CCC(C)(C)c1ccc(OCCC(N)C(N)=O)cc1.
What is the InChIKey of 2-amino-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide?
The InChIKey is QIUIEANUODCOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-15(2,3)11-5-7-12(8-6-11)19-10-9-13(16)14(17)18/h5-8,13H,4,9-10,16H2,1-3H3,(H2,17,18).
What are the key properties of 2-amino-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide?
2-amino-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide has a molecular weight of 264.37 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide is sourced from PubChem (CID 63040659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).