N-(2,6-dichlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide

C13H18Cl2N2O3 — CID 106159615

IUPACN-(2,6-dichlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
SMILESCOCC(CCO)NCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H18Cl2N2O3/c1-20-8-9(5-6-18)16-7-12(19)17-13-10(14)3-2-4-11(13)15/h2-4,9,16,18H,5-8H2,1H3,(H,17,19)
InChIKeyOGGDHBJOFDLDPD-UHFFFAOYSA-N
MW321.20 g/mol
LogP1.92
Rot. Bonds8

About N-(2,6-dichlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide

N-(2,6-dichlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide (PubChem CID 106159615) has the molecular formula C13H18Cl2N2O3 and a molecular weight of 321.20 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
PubChem CID106159615
Molecular FormulaC13H18Cl2N2O3
Molecular Weight321.20 g/mol
Exact Mass320.07
IUPAC NameN-(2,6-dichlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
SMILESCOCC(CCO)NCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H18Cl2N2O3/c1-20-8-9(5-6-18)16-7-12(19)17-13-10(14)3-2-4-11(13)15/h2-4,9,16,18H,5-8H2,1H3,(H,17,19)
InChIKeyOGGDHBJOFDLDPD-UHFFFAOYSA-N
XLogP1.92
TPSA70.59 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 ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
CID 106159836
N-(4-fluorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
CID 106159602
2-[1-(2-chlorophenyl)ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 18085946
methyl N-[2-(2,6-dichloroanilino)-2-oxoethyl]carbamate
CID 113001448
N-tert-butyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
CID 106159964
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 106159877
N-(2,6-dichlorophenyl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]acetamide
CID 111860122
N-(2,6-dichlorophenyl)-2-[(5-hydroxy-4-methylpentyl)amino]acetamide
CID 106160091
N-(2,6-dichlorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide
CID 81407882
N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393022
3-chloro-N-[2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2-oxoethyl]benzamide
CID 103802920
(2S)-4-(2,6-dichloroanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid
CID 2140663

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide (CID 106159615) is N-(2,6-dichlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide is COCC(CCO)NCC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide?
The InChIKey is OGGDHBJOFDLDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3/c1-20-8-9(5-6-18)16-7-12(19)17-13-10(14)3-2-4-11(13)15/h2-4,9,16,18H,5-8H2,1H3,(H,17,19).
What are the key properties of N-(2,6-dichlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide?
N-(2,6-dichlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide has a molecular weight of 321.20 g/mol, XLogP of 1.92, 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-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide is sourced from PubChem (CID 106159615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).