N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide

C16H23ClN2O3 — CID 113001589

IUPACN-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC(=O)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C16H23ClN2O3/c1-5-11(6-2)16(21)18-9-15(20)19-13-7-10(3)12(17)8-14(13)22-4/h7-8,11H,5-6,9H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyBRLQGSOLSJYWIH-UHFFFAOYSA-N
MW326.82 g/mol
LogP3.15
Rot. Bonds7

About N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide

N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide (PubChem CID 113001589) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide
PubChem CID113001589
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC NameN-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC(=O)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C16H23ClN2O3/c1-5-11(6-2)16(21)18-9-15(20)19-13-7-10(3)12(17)8-14(13)22-4/h7-8,11H,5-6,9H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyBRLQGSOLSJYWIH-UHFFFAOYSA-N
XLogP3.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 17427883
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 47205603
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 113001595
2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide
CID 119815091
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-(2-fluorophenyl)acetamide
CID 113001609
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide
CID 108940764
2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide;hydrochloride
CID 119815090
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea
CID 47196271
methyl 4-chloro-3-[[2-(2-ethylbutanoylamino)acetyl]amino]benzoate
CID 113000001
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide (CID 113001589) is N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCC(=O)Nc1cc(C)c(Cl)cc1OC.
What is the InChIKey of N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide?
The InChIKey is BRLQGSOLSJYWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-5-11(6-2)16(21)18-9-15(20)19-13-7-10(3)12(17)8-14(13)22-4/h7-8,11H,5-6,9H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide?
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide has a molecular weight of 326.82 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide is sourced from PubChem (CID 113001589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).