N-(2,6-diethylphenyl)-3-(2,3-dihydroxypropylamino)benzamide

C20H26N2O3 — CID 168594455

IUPACN-(2,6-diethylphenyl)-3-(2,3-dihydroxypropylamino)benzamide
SMILESCCc1cccc(CC)c1NC(=O)c1cccc(NCC(O)CO)c1
InChIInChI=1S/C20H26N2O3/c1-3-14-7-5-8-15(4-2)19(14)22-20(25)16-9-6-10-17(11-16)21-12-18(24)13-23/h5-11,18,21,23-24H,3-4,12-13H2,1-2H3,(H,22,25)
InChIKeyGJNPDTJAYAVEHD-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.83
Rot. Bonds8

About N-(2,6-diethylphenyl)-3-(2,3-dihydroxypropylamino)benzamide

N-(2,6-diethylphenyl)-3-(2,3-dihydroxypropylamino)benzamide (PubChem CID 168594455) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-3-(2,3-dihydroxypropylamino)benzamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-3-(2,3-dihydroxypropylamino)benzamide
PubChem CID168594455
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(2,6-diethylphenyl)-3-(2,3-dihydroxypropylamino)benzamide
SMILESCCc1cccc(CC)c1NC(=O)c1cccc(NCC(O)CO)c1
InChIInChI=1S/C20H26N2O3/c1-3-14-7-5-8-15(4-2)19(14)22-20(25)16-9-6-10-17(11-16)21-12-18(24)13-23/h5-11,18,21,23-24H,3-4,12-13H2,1-2H3,(H,22,25)
InChIKeyGJNPDTJAYAVEHD-UHFFFAOYSA-N
XLogP2.83
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)benzamide
CID 168596635
3-(2,3-dihydroxypropylamino)-N-pyridin-3-ylbenzamide
CID 168597603
N-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35339689
5-[[3-(2,3-dihydroxypropylamino)benzoyl]amino]-2-hydroxybenzoic acid
CID 168595086
3-[(3-chloro-2-hydroxypropyl)amino]-N-(4-methylphenyl)benzamide
CID 168638185
N-(2,6-diethylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 110600773
[3-(2,3-dihydroxypropylamino)phenyl]urea
CID 23202913
N-(2,6-diethylphenyl)-3-nitrobenzamide
CID 731505
3-[(3-chloro-2-hydroxypropyl)amino]-N-(2-methylphenyl)benzamide
CID 168638216
3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833789
3-(3-methylanilino)propane-1,2-diol
CID 3016394
N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]benzamide
CID 168636757

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-3-(2,3-dihydroxypropylamino)benzamide?
The IUPAC name of N-(2,6-diethylphenyl)-3-(2,3-dihydroxypropylamino)benzamide (CID 168594455) is N-(2,6-diethylphenyl)-3-(2,3-dihydroxypropylamino)benzamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-3-(2,3-dihydroxypropylamino)benzamide?
The canonical SMILES for N-(2,6-diethylphenyl)-3-(2,3-dihydroxypropylamino)benzamide is CCc1cccc(CC)c1NC(=O)c1cccc(NCC(O)CO)c1.
What is the InChIKey of N-(2,6-diethylphenyl)-3-(2,3-dihydroxypropylamino)benzamide?
The InChIKey is GJNPDTJAYAVEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-14-7-5-8-15(4-2)19(14)22-20(25)16-9-6-10-17(11-16)21-12-18(24)13-23/h5-11,18,21,23-24H,3-4,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-(2,6-diethylphenyl)-3-(2,3-dihydroxypropylamino)benzamide?
N-(2,6-diethylphenyl)-3-(2,3-dihydroxypropylamino)benzamide has a molecular weight of 342.44 g/mol, XLogP of 2.83, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-3-(2,3-dihydroxypropylamino)benzamide is sourced from PubChem (CID 168594455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).