2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanamide

C15H23ClN2O2 — CID 63056882

IUPAC2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanamide
SMILESCCC(Oc1ccc(Cl)cc1CNC(C)(C)C)C(N)=O
InChIInChI=1S/C15H23ClN2O2/c1-5-12(14(17)19)20-13-7-6-11(16)8-10(13)9-18-15(2,3)4/h6-8,12,18H,5,9H2,1-4H3,(H2,17,19)
InChIKeyNVMNEYPJFAHGJW-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.87
Rot. Bonds6

About 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanamide

2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanamide (PubChem CID 63056882) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanamide.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanamide
PubChem CID63056882
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanamide
SMILESCCC(Oc1ccc(Cl)cc1CNC(C)(C)C)C(N)=O
InChIInChI=1S/C15H23ClN2O2/c1-5-12(14(17)19)20-13-7-6-11(16)8-10(13)9-18-15(2,3)4/h6-8,12,18H,5,9H2,1-4H3,(H2,17,19)
InChIKeyNVMNEYPJFAHGJW-UHFFFAOYSA-N
XLogP2.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanoic acid
CID 64668129
2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butanamide
CID 63057973
3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide
CID 63056878
2-(2,5-dichlorophenoxy)butanamide
CID 62901251
2-(1-amino-1-oxobutan-2-yl)oxy-5-chlorobenzenesulfonyl chloride
CID 82922031
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butanamide
CID 55132194
2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]butanamide
CID 115955247
2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylacetamide
CID 63058398
propan-2-yl 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]acetate
CID 63057900
2-[2-(ethylaminomethyl)-4-fluorophenoxy]butanamide
CID 107695506
3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylpropanamide
CID 63056538
2-(2-carbamothioyl-5-chlorophenoxy)butanamide
CID 113277371

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanamide?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanamide (CID 63056882) is 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanamide.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanamide?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanamide is CCC(Oc1ccc(Cl)cc1CNC(C)(C)C)C(N)=O.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanamide?
The InChIKey is NVMNEYPJFAHGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-5-12(14(17)19)20-13-7-6-11(16)8-10(13)9-18-15(2,3)4/h6-8,12,18H,5,9H2,1-4H3,(H2,17,19).
What are the key properties of 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanamide?
2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanamide has a molecular weight of 298.81 g/mol, XLogP of 2.87, 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-chlorophenoxy]butanamide is sourced from PubChem (CID 63056882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).