3-ethoxy-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

C28H38N2O6 — CID 55653874

IUPAC3-ethoxy-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
SMILESCCOc1cc(C(=O)NC(C)c2ccc(OC(C)C)c(OC)c2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C28H38N2O6/c1-6-34-26-17-22(11-12-23(26)35-18-27(31)30-14-8-7-9-15-30)28(32)29-20(4)21-10-13-24(36-19(2)3)25(16-21)33-5/h10-13,16-17,19-20H,6-9,14-15,18H2,1-5H3,(H,29,32)
InChIKeyROLYZXWCGMNHQZ-UHFFFAOYSA-N
MW498.62 g/mol
LogP4.76
Rot. Bonds11

About 3-ethoxy-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

3-ethoxy-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (PubChem CID 55653874) has the molecular formula C28H38N2O6 and a molecular weight of 498.62 g/mol. Its IUPAC name is 3-ethoxy-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
PubChem CID55653874
Molecular FormulaC28H38N2O6
Molecular Weight498.62 g/mol
Exact Mass498.27
IUPAC Name3-ethoxy-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
SMILESCCOc1cc(C(=O)NC(C)c2ccc(OC(C)C)c(OC)c2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C28H38N2O6/c1-6-34-26-17-22(11-12-23(26)35-18-27(31)30-14-8-7-9-15-30)28(32)29-20(4)21-10-13-24(36-19(2)3)25(16-21)33-5/h10-13,16-17,19-20H,6-9,14-15,18H2,1-5H3,(H,29,32)
InChIKeyROLYZXWCGMNHQZ-UHFFFAOYSA-N
XLogP4.76
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.62
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethoxy-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide with MolForge

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Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 41113364
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
3-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-propan-2-yloxybenzamide
CID 51181691
N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 26102370
[1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
CID 42975908
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705940
N-(1-aminopropan-2-yl)-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 119582017
4-chloro-3-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylamino]-N-propan-2-ylbenzamide
CID 167805072
3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55457672
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 9418967
3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 37018852

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (CID 55653874) is 3-ethoxy-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is CCOc1cc(C(=O)NC(C)c2ccc(OC(C)C)c(OC)c2)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of 3-ethoxy-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The InChIKey is ROLYZXWCGMNHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O6/c1-6-34-26-17-22(11-12-23(26)35-18-27(31)30-14-8-7-9-15-30)28(32)29-20(4)21-10-13-24(36-19(2)3)25(16-21)33-5/h10-13,16-17,19-20H,6-9,14-15,18H2,1-5H3,(H,29,32).
What are the key properties of 3-ethoxy-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
3-ethoxy-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide has a molecular weight of 498.62 g/mol, XLogP of 4.76, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 55653874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).