N-[2-[[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide

C22H28N2O6 — CID 47931599

IUPACN-[2-[[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCOc1cccc(OC)c1OCC(O)CNC(=O)CNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C22H28N2O6/c1-14-8-15(2)10-16(9-14)22(27)24-12-20(26)23-11-17(25)13-30-21-18(28-3)6-5-7-19(21)29-4/h5-10,17,25H,11-13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyVKVNVEYGXBZUGR-UHFFFAOYSA-N
MW416.47 g/mol
LogP1.61
Rot. Bonds10

About N-[2-[[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-[[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 47931599) has the molecular formula C22H28N2O6 and a molecular weight of 416.47 g/mol. Its IUPAC name is N-[2-[[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID47931599
Molecular FormulaC22H28N2O6
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC NameN-[2-[[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCOc1cccc(OC)c1OCC(O)CNC(=O)CNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C22H28N2O6/c1-14-8-15(2)10-16(9-14)22(27)24-12-20(26)23-11-17(25)13-30-21-18(28-3)6-5-7-19(21)29-4/h5-10,17,25H,11-13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyVKVNVEYGXBZUGR-UHFFFAOYSA-N
XLogP1.61
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-dichlorophenyl)-N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]acetamide
CID 47931716
N-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51161280
N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-N',N'-dipropylpentanediamide
CID 56552786
N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 47931855
3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 27166909
3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide
CID 111477313
N-[2-[(3,3-difluoro-2-hydroxypropyl)amino]-2-oxoethyl]-3-methylbenzamide
CID 104889718
N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide
CID 800926
N-[2-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26996376
4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide
CID 7324383
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27259117
N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-3,4,5-trimethoxybenzamide
CID 7297778

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide (CID 47931599) is N-[2-[[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide is COc1cccc(OC)c1OCC(O)CNC(=O)CNC(=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-[2-[[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is VKVNVEYGXBZUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6/c1-14-8-15(2)10-16(9-14)22(27)24-12-20(26)23-11-17(25)13-30-21-18(28-3)6-5-7-19(21)29-4/h5-10,17,25H,11-13H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-[[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-[[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 416.47 g/mol, XLogP of 1.61, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 47931599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).