3,4-diethoxy-N-[2-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-oxoethyl]benzamide

C26H34N4O5 — CID 154860239

IUPAC3,4-diethoxy-N-[2-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2ccc(C(=O)N3CCN(CC)CC3)cc2)cc1OCC
InChIInChI=1S/C26H34N4O5/c1-4-29-13-15-30(16-14-29)26(33)19-7-10-21(11-8-19)28-24(31)18-27-25(32)20-9-12-22(34-5-2)23(17-20)35-6-3/h7-12,17H,4-6,13-16,18H2,1-3H3,(H,27,32)(H,28,31)
InChIKeyUWPPUTDCKBPVDF-UHFFFAOYSA-N
MW482.58 g/mol
LogP2.63
Rot. Bonds10

About 3,4-diethoxy-N-[2-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-oxoethyl]benzamide

3,4-diethoxy-N-[2-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-oxoethyl]benzamide (PubChem CID 154860239) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-oxoethyl]benzamide
PubChem CID154860239
Molecular FormulaC26H34N4O5
Molecular Weight482.58 g/mol
Exact Mass482.25
IUPAC Name3,4-diethoxy-N-[2-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2ccc(C(=O)N3CCN(CC)CC3)cc2)cc1OCC
InChIInChI=1S/C26H34N4O5/c1-4-29-13-15-30(16-14-29)26(33)19-7-10-21(11-8-19)28-24(31)18-27-25(32)20-9-12-22(34-5-2)23(17-20)35-6-3/h7-12,17H,4-6,13-16,18H2,1-3H3,(H,27,32)(H,28,31)
InChIKeyUWPPUTDCKBPVDF-UHFFFAOYSA-N
XLogP2.63
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 38105972
N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
CID 109046298
2-(4-benzoylpiperazin-1-yl)-N-(3,4-diethoxyphenyl)acetamide
CID 9223268
N-(4-bromophenyl)-2-[2-ethoxy-4-(4-ethylpiperazine-1-carbothioyl)phenoxy]acetamide
CID 126264063
3,4-diethoxy-N-[2-(3-fluoro-4-pyrrolidin-1-ylanilino)-2-oxoethyl]benzamide
CID 55944926
3,4-diethoxy-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide
CID 55635770
(4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 4065244
4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide
CID 9102895
3,4-diethoxy-N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]benzamide
CID 55946843
N-[2-[3-(difluoromethoxy)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 55847529
N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084493
N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 26697465

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-oxoethyl]benzamide (CID 154860239) is 3,4-diethoxy-N-[2-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)Nc2ccc(C(=O)N3CCN(CC)CC3)cc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-oxoethyl]benzamide?
The InChIKey is UWPPUTDCKBPVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5/c1-4-29-13-15-30(16-14-29)26(33)19-7-10-21(11-8-19)28-24(31)18-27-25(32)20-9-12-22(34-5-2)23(17-20)35-6-3/h7-12,17H,4-6,13-16,18H2,1-3H3,(H,27,32)(H,28,31).
What are the key properties of 3,4-diethoxy-N-[2-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-oxoethyl]benzamide?
3,4-diethoxy-N-[2-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-oxoethyl]benzamide has a molecular weight of 482.58 g/mol, XLogP of 2.63, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 154860239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).