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

C14H20Cl2N2O3 — CID 111112489

IUPACN-(2,6-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
SMILESO=C(CCN(CCO)CCCO)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H20Cl2N2O3/c15-11-3-1-4-12(16)14(11)17-13(21)5-7-18(8-10-20)6-2-9-19/h1,3-4,19-20H,2,5-10H2,(H,17,21)
InChIKeyOBAFJVOVAAQFLC-UHFFFAOYSA-N
MW335.23 g/mol
LogP2.00
Rot. Bonds9

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

N-(2,6-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide (PubChem CID 111112489) has the molecular formula C14H20Cl2N2O3 and a molecular weight of 335.23 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
PubChem CID111112489
Molecular FormulaC14H20Cl2N2O3
Molecular Weight335.23 g/mol
Exact Mass334.09
IUPAC NameN-(2,6-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
SMILESO=C(CCN(CCO)CCCO)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H20Cl2N2O3/c15-11-3-1-4-12(16)14(11)17-13(21)5-7-18(8-10-20)6-2-9-19/h1,3-4,19-20H,2,5-10H2,(H,17,21)
InChIKeyOBAFJVOVAAQFLC-UHFFFAOYSA-N
XLogP2.00
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichlorophenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide
CID 111112534
N-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
CID 111112461
N-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
CID 111112511
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-(2,6-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
CID 51225789
N-(2-chlorophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
CID 60774874
3-[benzhydryl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 24588780
N-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide
CID 104554153
N-(3-chloro-2-methylphenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide
CID 111112543
3-[benzyl(propyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 55482442
N-(2,6-dichlorophenyl)-2-(3-hydroxypropylamino)acetamide
CID 43405278

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide (CID 111112489) is N-(2,6-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide is O=C(CCN(CCO)CCCO)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide?
The InChIKey is OBAFJVOVAAQFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3/c15-11-3-1-4-12(16)14(11)17-13(21)5-7-18(8-10-20)6-2-9-19/h1,3-4,19-20H,2,5-10H2,(H,17,21).
What are the key properties of N-(2,6-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide?
N-(2,6-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide has a molecular weight of 335.23 g/mol, XLogP of 2.00, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide is sourced from PubChem (CID 111112489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).