3-(N-[2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]acetyl]-4-methoxyanilino)propanamide

C25H34N4O6 — CID 24560999

IUPAC3-(N-[2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]acetyl]-4-methoxyanilino)propanamide
SMILESCCOc1ccc(NC(=O)CN(C)CC(=O)N(CCC(N)=O)c2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C25H34N4O6/c1-5-34-21-12-7-18(15-22(21)35-6-2)27-24(31)16-28(3)17-25(32)29(14-13-23(26)30)19-8-10-20(33-4)11-9-19/h7-12,15H,5-6,13-14,16-17H2,1-4H3,(H2,26,30)(H,27,31)
InChIKeyDKPXHYRADJEMDW-UHFFFAOYSA-N
MW486.57 g/mol
LogP2.27
Rot. Bonds14

About 3-(N-[2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]acetyl]-4-methoxyanilino)propanamide

3-(N-[2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]acetyl]-4-methoxyanilino)propanamide (PubChem CID 24560999) has the molecular formula C25H34N4O6 and a molecular weight of 486.57 g/mol. Its IUPAC name is 3-(N-[2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]acetyl]-4-methoxyanilino)propanamide.

Molecular Properties

Compound Name3-(N-[2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]acetyl]-4-methoxyanilino)propanamide
PubChem CID24560999
Molecular FormulaC25H34N4O6
Molecular Weight486.57 g/mol
Exact Mass486.25
IUPAC Name3-(N-[2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]acetyl]-4-methoxyanilino)propanamide
SMILESCCOc1ccc(NC(=O)CN(C)CC(=O)N(CCC(N)=O)c2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C25H34N4O6/c1-5-34-21-12-7-18(15-22(21)35-6-2)27-24(31)16-28(3)17-25(32)29(14-13-23(26)30)19-8-10-20(33-4)11-9-19/h7-12,15H,5-6,13-14,16-17H2,1-4H3,(H2,26,30)(H,27,31)
InChIKeyDKPXHYRADJEMDW-UHFFFAOYSA-N
XLogP2.27
TPSA123.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-diethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 7751784
N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658514
3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 24561184
3-(N-[2-[(2-anilino-2-oxoethyl)-methylamino]acetyl]-4-fluoroanilino)propanamide
CID 55639254
N-[(3,4-diethoxyphenyl)carbamoyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8712469
3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18124684
N-(3,4-diethoxyphenyl)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658528
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705523
3-(N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18103265
2-amino-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 43712593
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7487592
3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 24561001

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]acetyl]-4-methoxyanilino)propanamide?
The IUPAC name of 3-(N-[2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]acetyl]-4-methoxyanilino)propanamide (CID 24560999) is 3-(N-[2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]acetyl]-4-methoxyanilino)propanamide.
What is the SMILES notation for 3-(N-[2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]acetyl]-4-methoxyanilino)propanamide?
The canonical SMILES for 3-(N-[2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]acetyl]-4-methoxyanilino)propanamide is CCOc1ccc(NC(=O)CN(C)CC(=O)N(CCC(N)=O)c2ccc(OC)cc2)cc1OCC.
What is the InChIKey of 3-(N-[2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]acetyl]-4-methoxyanilino)propanamide?
The InChIKey is DKPXHYRADJEMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O6/c1-5-34-21-12-7-18(15-22(21)35-6-2)27-24(31)16-28(3)17-25(32)29(14-13-23(26)30)19-8-10-20(33-4)11-9-19/h7-12,15H,5-6,13-14,16-17H2,1-4H3,(H2,26,30)(H,27,31).
What are the key properties of 3-(N-[2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]acetyl]-4-methoxyanilino)propanamide?
3-(N-[2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]acetyl]-4-methoxyanilino)propanamide has a molecular weight of 486.57 g/mol, XLogP of 2.27, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]acetyl]-4-methoxyanilino)propanamide is sourced from PubChem (CID 24560999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).