N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

C28H38N2O4 — CID 26102370

IUPACN-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C28H38N2O4/c1-6-33-25-17-21(13-14-24(25)34-18-26(31)30-15-8-7-9-16-30)28(32)29-27-22(19(2)3)11-10-12-23(27)20(4)5/h10-14,17,19-20H,6-9,15-16,18H2,1-5H3,(H,29,32)
InChIKeyPCJDVNQMCPYHRC-UHFFFAOYSA-N
MW466.62 g/mol
LogP5.98
Rot. Bonds9

About N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (PubChem CID 26102370) has the molecular formula C28H38N2O4 and a molecular weight of 466.62 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
PubChem CID26102370
Molecular FormulaC28H38N2O4
Molecular Weight466.62 g/mol
Exact Mass466.28
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C28H38N2O4/c1-6-33-25-17-21(13-14-24(25)34-18-26(31)30-15-8-7-9-16-30)28(32)29-27-22(19(2)3)11-10-12-23(27)20(4)5/h10-14,17,19-20H,6-9,15-16,18H2,1-5H3,(H,29,32)
InChIKeyPCJDVNQMCPYHRC-UHFFFAOYSA-N
XLogP5.98
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.62
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-(3-ethynylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55514324
3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 37018852
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
N-(3-chloro-4-methylphenyl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 26087154
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 41113364
3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55457672
3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55724935
propyl 4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]benzoate
CID 26199007
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 31216633
methyl 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate
CID 55771702
3-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)-4-propoxybenzamide
CID 26218687
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55674381

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (CID 26102370) is N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is CCOc1cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The InChIKey is PCJDVNQMCPYHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O4/c1-6-33-25-17-21(13-14-24(25)34-18-26(31)30-15-8-7-9-16-30)28(32)29-27-22(19(2)3)11-10-12-23(27)20(4)5/h10-14,17,19-20H,6-9,15-16,18H2,1-5H3,(H,29,32).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide has a molecular weight of 466.62 g/mol, XLogP of 5.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 26102370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).