N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-(2-methylphenyl)acetamide

C21H25ClN2O3 — CID 113063961

IUPACN-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-(2-methylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1N(CCNC(=O)Cc1ccccc1C)C(C)=O
InChIInChI=1S/C21H25ClN2O3/c1-14-7-5-6-8-17(14)12-21(26)23-9-10-24(16(3)25)19-11-15(2)18(22)13-20(19)27-4/h5-8,11,13H,9-10,12H2,1-4H3,(H,23,26)
InChIKeyRHMBYJMGPYNDEA-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.68
Rot. Bonds7

About N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-(2-methylphenyl)acetamide

N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-(2-methylphenyl)acetamide (PubChem CID 113063961) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-(2-methylphenyl)acetamide
PubChem CID113063961
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC NameN-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-(2-methylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1N(CCNC(=O)Cc1ccccc1C)C(C)=O
InChIInChI=1S/C21H25ClN2O3/c1-14-7-5-6-8-17(14)12-21(26)23-9-10-24(16(3)25)19-11-15(2)18(22)13-20(19)27-4/h5-8,11,13H,9-10,12H2,1-4H3,(H,23,26)
InChIKeyRHMBYJMGPYNDEA-UHFFFAOYSA-N
XLogP3.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-phenoxyacetamide
CID 113063953
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113134427
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)propanamide
CID 113134472
N-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide
CID 113063901
N-[2-(N-acetyl-2-chloroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113059443
N-[2-(N-acetyl-2-tert-butylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113059053
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 113134445
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113058904
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide
CID 113061243
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113180325
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-benzyl-N-methylpropanamide
CID 113134443
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide
CID 113060279

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-(2-methylphenyl)acetamide (CID 113063961) is N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-(2-methylphenyl)acetamide is COc1cc(Cl)c(C)cc1N(CCNC(=O)Cc1ccccc1C)C(C)=O.
What is the InChIKey of N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-(2-methylphenyl)acetamide?
The InChIKey is RHMBYJMGPYNDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-14-7-5-6-8-17(14)12-21(26)23-9-10-24(16(3)25)19-11-15(2)18(22)13-20(19)27-4/h5-8,11,13H,9-10,12H2,1-4H3,(H,23,26).
What are the key properties of N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-(2-methylphenyl)acetamide?
N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-(2-methylphenyl)acetamide has a molecular weight of 388.90 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 113063961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).