2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butanamide

C15H22Cl2N2O2 — CID 63057973

IUPAC2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butanamide
SMILESCCC(Oc1c(Cl)cc(Cl)cc1CNC(C)(C)C)C(N)=O
InChIInChI=1S/C15H22Cl2N2O2/c1-5-12(14(18)20)21-13-9(8-19-15(2,3)4)6-10(16)7-11(13)17/h6-7,12,19H,5,8H2,1-4H3,(H2,18,20)
InChIKeyQFIFRNDOECEMFM-UHFFFAOYSA-N
MW333.26 g/mol
LogP3.52
Rot. Bonds6

About 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butanamide

2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butanamide (PubChem CID 63057973) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butanamide.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butanamide
PubChem CID63057973
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butanamide
SMILESCCC(Oc1c(Cl)cc(Cl)cc1CNC(C)(C)C)C(N)=O
InChIInChI=1S/C15H22Cl2N2O2/c1-5-12(14(18)20)21-13-9(8-19-15(2,3)4)6-10(16)7-11(13)17/h6-7,12,19H,5,8H2,1-4H3,(H2,18,20)
InChIKeyQFIFRNDOECEMFM-UHFFFAOYSA-N
XLogP3.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]butanamide
CID 62900773
2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanamide
CID 63056882
methyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]propanoate
CID 63058119
3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]-2-methylpropanamide
CID 63057958
2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetamide;hydrochloride
CID 6473566
ethyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetate
CID 63057969
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717180
2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]butanamide
CID 115955247
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17290026
3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]propane-1,2-diol
CID 82849323
2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanoic acid
CID 64668129
4-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butan-1-ol
CID 63057974

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butanamide?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butanamide (CID 63057973) is 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butanamide.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butanamide?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butanamide is CCC(Oc1c(Cl)cc(Cl)cc1CNC(C)(C)C)C(N)=O.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butanamide?
The InChIKey is QFIFRNDOECEMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2/c1-5-12(14(18)20)21-13-9(8-19-15(2,3)4)6-10(16)7-11(13)17/h6-7,12,19H,5,8H2,1-4H3,(H2,18,20).
What are the key properties of 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butanamide?
2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butanamide has a molecular weight of 333.26 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butanamide is sourced from PubChem (CID 63057973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).