2-(4-amino-2,5-dimethylphenoxy)butanamide

C12H18N2O2 — CID 63181047

IUPAC2-(4-amino-2,5-dimethylphenoxy)butanamide
SMILESCCC(Oc1cc(C)c(N)cc1C)C(N)=O
InChIInChI=1S/C12H18N2O2/c1-4-10(12(14)15)16-11-6-7(2)9(13)5-8(11)3/h5-6,10H,4,13H2,1-3H3,(H2,14,15)
InChIKeyKCPMSDBORHKKPW-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.53
Rot. Bonds4

About 2-(4-amino-2,5-dimethylphenoxy)butanamide

2-(4-amino-2,5-dimethylphenoxy)butanamide (PubChem CID 63181047) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(4-amino-2,5-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name2-(4-amino-2,5-dimethylphenoxy)butanamide
PubChem CID63181047
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(4-amino-2,5-dimethylphenoxy)butanamide
SMILESCCC(Oc1cc(C)c(N)cc1C)C(N)=O
InChIInChI=1S/C12H18N2O2/c1-4-10(12(14)15)16-11-6-7(2)9(13)5-8(11)3/h5-6,10H,4,13H2,1-3H3,(H2,14,15)
InChIKeyKCPMSDBORHKKPW-UHFFFAOYSA-N
XLogP1.53
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2,5-dimethylphenoxy)propanamide
CID 63181130
2-(4-amino-2,5-dimethylphenoxy)-N-carbamoylpropanamide
CID 63181045
2-[2-(2-aminobutyl)-4-bromophenoxy]butanamide
CID 62900256
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]butanamide
CID 78947140
2-[2-(1-aminoethyl)-5-methylphenoxy]butanamide
CID 63640445
2-(1-amino-1-oxobutan-2-yl)oxy-5-fluorobenzoic acid
CID 115297987
2-(2,5-dichlorophenoxy)butanamide
CID 62901251
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]butanamide
CID 78937476
2-(4-bromo-2-formyl-6-methylphenoxy)butanamide
CID 112620734
2-(4-methylphenoxy)butanamide
CID 4980758
4-(1-amino-1-oxobutan-2-yl)oxy-2,6-dimethylbenzenesulfonyl chloride
CID 82921535
2-(3-aminophenoxy)butanamide
CID 62901524

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,5-dimethylphenoxy)butanamide?
The IUPAC name of 2-(4-amino-2,5-dimethylphenoxy)butanamide (CID 63181047) is 2-(4-amino-2,5-dimethylphenoxy)butanamide.
What is the SMILES notation for 2-(4-amino-2,5-dimethylphenoxy)butanamide?
The canonical SMILES for 2-(4-amino-2,5-dimethylphenoxy)butanamide is CCC(Oc1cc(C)c(N)cc1C)C(N)=O.
What is the InChIKey of 2-(4-amino-2,5-dimethylphenoxy)butanamide?
The InChIKey is KCPMSDBORHKKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-10(12(14)15)16-11-6-7(2)9(13)5-8(11)3/h5-6,10H,4,13H2,1-3H3,(H2,14,15).
What are the key properties of 2-(4-amino-2,5-dimethylphenoxy)butanamide?
2-(4-amino-2,5-dimethylphenoxy)butanamide has a molecular weight of 222.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,5-dimethylphenoxy)butanamide is sourced from PubChem (CID 63181047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).