N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-N',N'-dipropylpentanediamide

C22H36N2O6 — CID 56552786

IUPACN-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCC(O)COc1c(OC)cccc1OC
InChIInChI=1S/C22H36N2O6/c1-5-13-24(14-6-2)21(27)12-8-11-20(26)23-15-17(25)16-30-22-18(28-3)9-7-10-19(22)29-4/h7,9-10,17,25H,5-6,8,11-16H2,1-4H3,(H,23,26)
InChIKeyVSHXHQKOFSFBOY-UHFFFAOYSA-N
MW424.54 g/mol
LogP2.38
Rot. Bonds15

About N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-N',N'-dipropylpentanediamide

N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-N',N'-dipropylpentanediamide (PubChem CID 56552786) has the molecular formula C22H36N2O6 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-N',N'-dipropylpentanediamide
PubChem CID56552786
Molecular FormulaC22H36N2O6
Molecular Weight424.54 g/mol
Exact Mass424.26
IUPAC NameN-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCC(O)COc1c(OC)cccc1OC
InChIInChI=1S/C22H36N2O6/c1-5-13-24(14-6-2)21(27)12-8-11-20(26)23-15-17(25)16-30-22-18(28-3)9-7-10-19(22)29-4/h7,9-10,17,25H,5-6,8,11-16H2,1-4H3,(H,23,26)
InChIKeyVSHXHQKOFSFBOY-UHFFFAOYSA-N
XLogP2.38
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 52.38
H-Bond Donors ≤ 52
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-[[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 47931599
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N',N'-dipropylpentanediamide
CID 56552338
N-[2-hydroxy-3-(2-methylphenoxy)propyl]heptanamide
CID 84564095
N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 47931855
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-N',N'-dipropylbutanediamide
CID 138043880
(2S)-3-[[5-(dipropylamino)-5-oxopentanoyl]amino]-2-methylpropanoic acid
CID 97234402
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546256
N-(3-propoxyphenyl)-N',N'-dipropylpentanediamide
CID 56553165
N-[[3-(diethylaminomethyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56545187
1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride
CID 16806866
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-N',N'-dipropylpentanediamide
CID 56540773

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-N',N'-dipropylpentanediamide?
The IUPAC name of N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-N',N'-dipropylpentanediamide (CID 56552786) is N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-N',N'-dipropylpentanediamide?
The canonical SMILES for N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)NCC(O)COc1c(OC)cccc1OC.
What is the InChIKey of N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-N',N'-dipropylpentanediamide?
The InChIKey is VSHXHQKOFSFBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O6/c1-5-13-24(14-6-2)21(27)12-8-11-20(26)23-15-17(25)16-30-22-18(28-3)9-7-10-19(22)29-4/h7,9-10,17,25H,5-6,8,11-16H2,1-4H3,(H,23,26).
What are the key properties of N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-N',N'-dipropylpentanediamide?
N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-N',N'-dipropylpentanediamide has a molecular weight of 424.54 g/mol, XLogP of 2.38, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-N',N'-dipropylpentanediamide is sourced from PubChem (CID 56552786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).