3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide

C14H21ClN2O2 — CID 63056878

IUPAC3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide
SMILESCC(C)(C)NCc1cc(Cl)ccc1OCCC(N)=O
InChIInChI=1S/C14H21ClN2O2/c1-14(2,3)17-9-10-8-11(15)4-5-12(10)19-7-6-13(16)18/h4-5,8,17H,6-7,9H2,1-3H3,(H2,16,18)
InChIKeyFBDJGSWJGSZPOD-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.48
Rot. Bonds6

About 3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide

3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide (PubChem CID 63056878) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide.

Molecular Properties

Compound Name3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide
PubChem CID63056878
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide
SMILESCC(C)(C)NCc1cc(Cl)ccc1OCCC(N)=O
InChIInChI=1S/C14H21ClN2O2/c1-14(2,3)17-9-10-8-11(15)4-5-12(10)19-7-6-13(16)18/h4-5,8,17H,6-7,9H2,1-3H3,(H2,16,18)
InChIKeyFBDJGSWJGSZPOD-UHFFFAOYSA-N
XLogP2.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylpropanamide
CID 63056538
2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanamide
CID 63056882
2-[4-chloro-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenoxy]acetamide
CID 17053993
2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylacetamide
CID 63058398
propan-2-yl 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]acetate
CID 63057900
3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide
CID 114319843
3-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]propanamide
CID 63063890
2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanoic acid
CID 64668129
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 17289160
N-[(2-but-2-ynoxy-5-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 63056712
N-[[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056881
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721823

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide?
The IUPAC name of 3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide (CID 63056878) is 3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide.
What is the SMILES notation for 3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide?
The canonical SMILES for 3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide is CC(C)(C)NCc1cc(Cl)ccc1OCCC(N)=O.
What is the InChIKey of 3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide?
The InChIKey is FBDJGSWJGSZPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-14(2,3)17-9-10-8-11(15)4-5-12(10)19-7-6-13(16)18/h4-5,8,17H,6-7,9H2,1-3H3,(H2,16,18).
What are the key properties of 3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide?
3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide has a molecular weight of 284.79 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide is sourced from PubChem (CID 63056878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).