N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4,5-trimethoxyphenyl)acetamide

C19H22ClNO5 — CID 42883568

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCC(O)c2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C19H22ClNO5/c1-24-16-8-12(9-17(25-2)19(16)26-3)10-18(23)21-11-15(22)13-4-6-14(20)7-5-13/h4-9,15,22H,10-11H2,1-3H3,(H,21,23)
InChIKeyMRMGJDDWLODYIT-UHFFFAOYSA-N
MW379.84 g/mol
LogP2.76
Rot. Bonds8

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4,5-trimethoxyphenyl)acetamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 42883568) has the molecular formula C19H22ClNO5 and a molecular weight of 379.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID42883568
Molecular FormulaC19H22ClNO5
Molecular Weight379.84 g/mol
Exact Mass379.12
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCC(O)c2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C19H22ClNO5/c1-24-16-8-12(9-17(25-2)19(16)26-3)10-18(23)21-11-15(22)13-4-6-14(20)7-5-13/h4-9,15,22H,10-11H2,1-3H3,(H,21,23)
InChIKeyMRMGJDDWLODYIT-UHFFFAOYSA-N
XLogP2.76
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7948779
2-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]propanoic acid
CID 119237458
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 110663484
4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613299
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide
CID 47022575
[(1S)-1-(2-chlorophenyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]-dimethylazanium
CID 8916175
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8916173
2-(3,4-dimethoxyphenyl)-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]acetamide
CID 47005175
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-methoxyphenyl)acetamide
CID 55652673
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 36511989
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide
CID 110885506

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 42883568) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)NCC(O)c2ccc(Cl)cc2)cc(OC)c1OC.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is MRMGJDDWLODYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO5/c1-24-16-8-12(9-17(25-2)19(16)26-3)10-18(23)21-11-15(22)13-4-6-14(20)7-5-13/h4-9,15,22H,10-11H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 379.84 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 42883568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).