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

C20H25N3O5 — CID 18124684

IUPAC3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
SMILESCOc1ccc(N(CCC(N)=O)CC(=O)Nc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C20H25N3O5/c1-26-16-6-4-15(5-7-16)23(9-8-19(21)24)13-20(25)22-14-10-17(27-2)12-18(11-14)28-3/h4-7,10-12H,8-9,13H2,1-3H3,(H2,21,24)(H,22,25)
InChIKeyXZTXJQKOHSODCW-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.03
Rot. Bonds10

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

3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide (PubChem CID 18124684) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide.

Molecular Properties

Compound Name3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
PubChem CID18124684
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
SMILESCOc1ccc(N(CCC(N)=O)CC(=O)Nc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C20H25N3O5/c1-26-16-6-4-15(5-7-16)23(9-8-19(21)24)13-20(25)22-14-10-17(27-2)12-18(11-14)28-3/h4-7,10-12H,8-9,13H2,1-3H3,(H2,21,24)(H,22,25)
InChIKeyXZTXJQKOHSODCW-UHFFFAOYSA-N
XLogP2.03
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.03
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-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 24561184
3-(N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18103265
3-[[2-(N-(3-amino-3-oxopropyl)-4-methoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 17427292
3-(N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18127351
3-(N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-methoxyanilino)propanamide
CID 40939865
2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide
CID 55483246
3-(4-methoxy-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]anilino)propanamide
CID 17430264
3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide
CID 34740045
3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide
CID 16576300
1-[4-(diethylamino)phenyl]-3-(3,5-dimethoxyphenyl)urea
CID 108869515
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(diethylamino)benzoate
CID 2515065
3-(N-[2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]acetyl]-4-methoxyanilino)propanamide
CID 24560999

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide?
The IUPAC name of 3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide (CID 18124684) is 3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide.
What is the SMILES notation for 3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide?
The canonical SMILES for 3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide is COc1ccc(N(CCC(N)=O)CC(=O)Nc2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of 3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide?
The InChIKey is XZTXJQKOHSODCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-26-16-6-4-15(5-7-16)23(9-8-19(21)24)13-20(25)22-14-10-17(27-2)12-18(11-14)28-3/h4-7,10-12H,8-9,13H2,1-3H3,(H2,21,24)(H,22,25).
What are the key properties of 3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide?
3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide has a molecular weight of 387.44 g/mol, XLogP of 2.03, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide is sourced from PubChem (CID 18124684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).