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

C16H25ClN2O2 — CID 63056538

IUPAC3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylpropanamide
SMILESCCNC(=O)CCOc1ccc(Cl)cc1CNC(C)(C)C
InChIInChI=1S/C16H25ClN2O2/c1-5-18-15(20)8-9-21-14-7-6-13(17)10-12(14)11-19-16(2,3)4/h6-7,10,19H,5,8-9,11H2,1-4H3,(H,18,20)
InChIKeyUQSSVOLSWLDELG-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.13
Rot. Bonds7

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

3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylpropanamide (PubChem CID 63056538) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylpropanamide
PubChem CID63056538
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylpropanamide
SMILESCCNC(=O)CCOc1ccc(Cl)cc1CNC(C)(C)C
InChIInChI=1S/C16H25ClN2O2/c1-5-18-15(20)8-9-21-14-7-6-13(17)10-12(14)11-19-16(2,3)4/h6-7,10,19H,5,8-9,11H2,1-4H3,(H,18,20)
InChIKeyUQSSVOLSWLDELG-UHFFFAOYSA-N
XLogP3.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylacetamide
CID 63058398
3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide
CID 63056878
3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-ethylpropanamide
CID 78931458
propan-2-yl 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]acetate
CID 63057900
N-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide
CID 62325462
2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanoic acid
CID 64668129
2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanamide
CID 63056882
N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 110780278
4-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 63890303
3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide
CID 62626106
N-[(2-but-2-ynoxy-5-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 63056712
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 17289160

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylpropanamide?
The IUPAC name of 3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylpropanamide (CID 63056538) is 3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylpropanamide.
What is the SMILES notation for 3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylpropanamide?
The canonical SMILES for 3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylpropanamide is CCNC(=O)CCOc1ccc(Cl)cc1CNC(C)(C)C.
What is the InChIKey of 3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylpropanamide?
The InChIKey is UQSSVOLSWLDELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-5-18-15(20)8-9-21-14-7-6-13(17)10-12(14)11-19-16(2,3)4/h6-7,10,19H,5,8-9,11H2,1-4H3,(H,18,20).
What are the key properties of 3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylpropanamide?
3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylpropanamide has a molecular weight of 312.84 g/mol, XLogP of 3.13, 7 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]-N-ethylpropanamide is sourced from PubChem (CID 63056538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).