N-(4-chlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide

C13H19ClN2O3 — CID 106159836

IUPACN-(4-chlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
SMILESCOCC(CCO)NCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O3/c1-19-9-12(6-7-17)15-8-13(18)16-11-4-2-10(14)3-5-11/h2-5,12,15,17H,6-9H2,1H3,(H,16,18)
InChIKeyDPHROOVEISKFIH-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.27
Rot. Bonds8

About N-(4-chlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide

N-(4-chlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide (PubChem CID 106159836) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
PubChem CID106159836
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC NameN-(4-chlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
SMILESCOCC(CCO)NCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O3/c1-19-9-12(6-7-17)15-8-13(18)16-11-4-2-10(14)3-5-11/h2-5,12,15,17H,6-9H2,1H3,(H,16,18)
InChIKeyDPHROOVEISKFIH-UHFFFAOYSA-N
XLogP1.27
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
CID 106159602
1-(4-chlorophenyl)-3-(4-hydroxy-1-methoxybutan-2-yl)urea
CID 113240168
N-(2,6-dichlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
CID 106159615
N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide
CID 43179600
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
N-tert-butyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
CID 106159964
2-[[2-(4-chloroanilino)-2-oxoethyl]amino]pentanoic acid
CID 43631680
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9335614
N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822618
2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 60696183
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide
CID 81378696

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide (CID 106159836) is N-(4-chlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide is COCC(CCO)NCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide?
The InChIKey is DPHROOVEISKFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-19-9-12(6-7-17)15-8-13(18)16-11-4-2-10(14)3-5-11/h2-5,12,15,17H,6-9H2,1H3,(H,16,18).
What are the key properties of N-(4-chlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide?
N-(4-chlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide has a molecular weight of 286.76 g/mol, XLogP of 1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide is sourced from PubChem (CID 106159836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).