N-(2,6-dichlorophenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide

C13H18Cl2N2O3 — CID 111112534

IUPACN-(2,6-dichlorophenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide
SMILESO=C(CN(CCO)CCCO)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H18Cl2N2O3/c14-10-3-1-4-11(15)13(10)16-12(20)9-17(6-8-19)5-2-7-18/h1,3-4,18-19H,2,5-9H2,(H,16,20)
InChIKeyXKVSHXWYGKMIAC-UHFFFAOYSA-N
MW321.20 g/mol
LogP1.61
Rot. Bonds8

About N-(2,6-dichlorophenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide

N-(2,6-dichlorophenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide (PubChem CID 111112534) has the molecular formula C13H18Cl2N2O3 and a molecular weight of 321.20 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide
PubChem CID111112534
Molecular FormulaC13H18Cl2N2O3
Molecular Weight321.20 g/mol
Exact Mass320.07
IUPAC NameN-(2,6-dichlorophenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide
SMILESO=C(CN(CCO)CCCO)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H18Cl2N2O3/c14-10-3-1-4-11(15)13(10)16-12(20)9-17(6-8-19)5-2-7-18/h1,3-4,18-19H,2,5-9H2,(H,16,20)
InChIKeyXKVSHXWYGKMIAC-UHFFFAOYSA-N
XLogP1.61
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
CID 111112489
N-(2,6-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
CID 51225789
N-(3-chloro-2-methylphenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide
CID 111112543
2-[carboxymethyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid
CID 63646991
2-[butyl(2-hydroxyethyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 60689184
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
2-[butyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide;hydrochloride
CID 138396783
N-(2,6-dichlorophenyl)-2-(3-hydroxypropylamino)acetamide
CID 43405278
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-phenylacetamide
CID 34925634
2-[bis(2-hydroxyethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 18870879

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide (CID 111112534) is N-(2,6-dichlorophenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide is O=C(CN(CCO)CCCO)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide?
The InChIKey is XKVSHXWYGKMIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3/c14-10-3-1-4-11(15)13(10)16-12(20)9-17(6-8-19)5-2-7-18/h1,3-4,18-19H,2,5-9H2,(H,16,20).
What are the key properties of N-(2,6-dichlorophenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide?
N-(2,6-dichlorophenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide has a molecular weight of 321.20 g/mol, XLogP of 1.61, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide is sourced from PubChem (CID 111112534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).