3-(N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide

C20H24ClN3O5 — CID 18127351

IUPAC3-(N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
SMILESCOc1ccc(N(CCC(N)=O)CC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1
InChIInChI=1S/C20H24ClN3O5/c1-27-14-6-4-13(5-7-14)24(9-8-19(22)25)12-20(26)23-16-10-15(21)17(28-2)11-18(16)29-3/h4-7,10-11H,8-9,12H2,1-3H3,(H2,22,25)(H,23,26)
InChIKeyMMGSYNJWFJVANW-UHFFFAOYSA-N
MW421.88 g/mol
LogP2.69
Rot. Bonds10

About 3-(N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide

3-(N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide (PubChem CID 18127351) has the molecular formula C20H24ClN3O5 and a molecular weight of 421.88 g/mol. Its IUPAC name is 3-(N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide.

Molecular Properties

Compound Name3-(N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
PubChem CID18127351
Molecular FormulaC20H24ClN3O5
Molecular Weight421.88 g/mol
Exact Mass421.14
IUPAC Name3-(N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
SMILESCOc1ccc(N(CCC(N)=O)CC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1
InChIInChI=1S/C20H24ClN3O5/c1-27-14-6-4-13(5-7-14)24(9-8-19(22)25)12-20(26)23-16-10-15(21)17(28-2)11-18(16)29-3/h4-7,10-11H,8-9,12H2,1-3H3,(H2,22,25)(H,23,26)
InChIKeyMMGSYNJWFJVANW-UHFFFAOYSA-N
XLogP2.69
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18124684
3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 24561184
2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 26877190
3-[[2-(N-(3-amino-3-oxopropyl)-4-methoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 17427292
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
3-[N-[2-(2-chlorophenoxy)ethyl]-4-methoxyanilino]propanamide
CID 18124700
3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide
CID 24561175
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-chlorophenoxy)acetamide
CID 7924033
3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide
CID 34740045
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
3-(N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-methoxyanilino)propanamide
CID 40939865
3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide
CID 16576300

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide?
The IUPAC name of 3-(N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide (CID 18127351) is 3-(N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide.
What is the SMILES notation for 3-(N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide?
The canonical SMILES for 3-(N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide is COc1ccc(N(CCC(N)=O)CC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1.
What is the InChIKey of 3-(N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide?
The InChIKey is MMGSYNJWFJVANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O5/c1-27-14-6-4-13(5-7-14)24(9-8-19(22)25)12-20(26)23-16-10-15(21)17(28-2)11-18(16)29-3/h4-7,10-11H,8-9,12H2,1-3H3,(H2,22,25)(H,23,26).
What are the key properties of 3-(N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide?
3-(N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide has a molecular weight of 421.88 g/mol, XLogP of 2.69, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide is sourced from PubChem (CID 18127351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).