2-[3-(2,6-dimethoxyphenyl)phenoxy]propanamide

C17H19NO4 — CID 56702109

IUPAC2-[3-(2,6-dimethoxyphenyl)phenoxy]propanamide
SMILESCOc1cccc(OC)c1-c1cccc(OC(C)C(N)=O)c1
InChIInChI=1S/C17H19NO4/c1-11(17(18)19)22-13-7-4-6-12(10-13)16-14(20-2)8-5-9-15(16)21-3/h4-11H,1-3H3,(H2,18,19)
InChIKeyNFEBBHKGJRBQQJ-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.62
Rot. Bonds6

About 2-[3-(2,6-dimethoxyphenyl)phenoxy]propanamide

2-[3-(2,6-dimethoxyphenyl)phenoxy]propanamide (PubChem CID 56702109) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[3-(2,6-dimethoxyphenyl)phenoxy]propanamide.

Molecular Properties

Compound Name2-[3-(2,6-dimethoxyphenyl)phenoxy]propanamide
PubChem CID56702109
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-[3-(2,6-dimethoxyphenyl)phenoxy]propanamide
SMILESCOc1cccc(OC)c1-c1cccc(OC(C)C(N)=O)c1
InChIInChI=1S/C17H19NO4/c1-11(17(18)19)22-13-7-4-6-12(10-13)16-14(20-2)8-5-9-15(16)21-3/h4-11H,1-3H3,(H2,18,19)
InChIKeyNFEBBHKGJRBQQJ-UHFFFAOYSA-N
XLogP2.62
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[3-(2-chlorophenyl)phenoxy]propanamide
CID 95205129
2-(3-aminophenoxy)propanamide
CID 43115971
[3-(2,6-dimethoxyphenyl)phenyl] propanoate
CID 142465207
4-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N,N-dimethylbenzamide
CID 56709051
3-methoxy-2-(3-methoxyphenyl)benzoic acid
CID 19594928
(2S)-2-(3-nitrophenoxy)propanamide
CID 7865254
(2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]propanamide
CID 95188787
(2R)-2-(2,3-dichlorophenoxy)propanamide
CID 7372370
2-[3-(trifluoromethyl)phenoxy]propanamide
CID 57207149
3-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N-ethyl-N-methylbenzamide
CID 121495905
2-[3-[2-(dimethylamino)-3-pyridinyl]phenoxy]propanamide
CID 155917601
(2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide
CID 95554001

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimethoxyphenyl)phenoxy]propanamide?
The IUPAC name of 2-[3-(2,6-dimethoxyphenyl)phenoxy]propanamide (CID 56702109) is 2-[3-(2,6-dimethoxyphenyl)phenoxy]propanamide.
What is the SMILES notation for 2-[3-(2,6-dimethoxyphenyl)phenoxy]propanamide?
The canonical SMILES for 2-[3-(2,6-dimethoxyphenyl)phenoxy]propanamide is COc1cccc(OC)c1-c1cccc(OC(C)C(N)=O)c1.
What is the InChIKey of 2-[3-(2,6-dimethoxyphenyl)phenoxy]propanamide?
The InChIKey is NFEBBHKGJRBQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-11(17(18)19)22-13-7-4-6-12(10-13)16-14(20-2)8-5-9-15(16)21-3/h4-11H,1-3H3,(H2,18,19).
What are the key properties of 2-[3-(2,6-dimethoxyphenyl)phenoxy]propanamide?
2-[3-(2,6-dimethoxyphenyl)phenoxy]propanamide has a molecular weight of 301.34 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethoxyphenyl)phenoxy]propanamide is sourced from PubChem (CID 56702109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).