2-[2-[(tert-butylamino)methyl]-4-chloro-6-methoxyphenoxy]-N-methylacetamide

C15H23ClN2O3 — CID 104665072

IUPAC2-[2-[(tert-butylamino)methyl]-4-chloro-6-methoxyphenoxy]-N-methylacetamide
SMILESCNC(=O)COc1c(CNC(C)(C)C)cc(Cl)cc1OC
InChIInChI=1S/C15H23ClN2O3/c1-15(2,3)18-8-10-6-11(16)7-12(20-5)14(10)21-9-13(19)17-4/h6-7,18H,8-9H2,1-5H3,(H,17,19)
InChIKeyQYVXZNRLAPJEAM-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.36
Rot. Bonds6

About 2-[2-[(tert-butylamino)methyl]-4-chloro-6-methoxyphenoxy]-N-methylacetamide

2-[2-[(tert-butylamino)methyl]-4-chloro-6-methoxyphenoxy]-N-methylacetamide (PubChem CID 104665072) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]-4-chloro-6-methoxyphenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]-4-chloro-6-methoxyphenoxy]-N-methylacetamide
PubChem CID104665072
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-[2-[(tert-butylamino)methyl]-4-chloro-6-methoxyphenoxy]-N-methylacetamide
SMILESCNC(=O)COc1c(CNC(C)(C)C)cc(Cl)cc1OC
InChIInChI=1S/C15H23ClN2O3/c1-15(2,3)18-8-10-6-11(16)7-12(20-5)14(10)21-9-13(19)17-4/h6-7,18H,8-9H2,1-5H3,(H,17,19)
InChIKeyQYVXZNRLAPJEAM-UHFFFAOYSA-N
XLogP2.36
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-methylacetamide
CID 104664187
N-[[5-chloro-2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 104665060
4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 104664360
2-[2-bromo-4-[(tert-butylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide
CID 63056313
N-[[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 104665044
4-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-methylbutanamide
CID 104666048
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-propan-2-ylacetamide
CID 104666110
2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide
CID 63000645
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyanomethyl)acetamide
CID 104666010
N-[(5-chloro-3-methoxy-2-pent-4-ynoxyphenyl)methyl]-2-methylpropan-2-amine
CID 104665073
2-[4-chloro-2-methoxy-6-(propylaminomethyl)phenoxy]-N-ethylacetamide
CID 104664816
2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N-ethylacetamide
CID 104664912

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]-4-chloro-6-methoxyphenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]-4-chloro-6-methoxyphenoxy]-N-methylacetamide (CID 104665072) is 2-[2-[(tert-butylamino)methyl]-4-chloro-6-methoxyphenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]-4-chloro-6-methoxyphenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]-4-chloro-6-methoxyphenoxy]-N-methylacetamide is CNC(=O)COc1c(CNC(C)(C)C)cc(Cl)cc1OC.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]-4-chloro-6-methoxyphenoxy]-N-methylacetamide?
The InChIKey is QYVXZNRLAPJEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-15(2,3)18-8-10-6-11(16)7-12(20-5)14(10)21-9-13(19)17-4/h6-7,18H,8-9H2,1-5H3,(H,17,19).
What are the key properties of 2-[2-[(tert-butylamino)methyl]-4-chloro-6-methoxyphenoxy]-N-methylacetamide?
2-[2-[(tert-butylamino)methyl]-4-chloro-6-methoxyphenoxy]-N-methylacetamide has a molecular weight of 314.81 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(tert-butylamino)methyl]-4-chloro-6-methoxyphenoxy]-N-methylacetamide is sourced from PubChem (CID 104665072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).