3-ethoxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

C26H34N2O5 — CID 43033984

IUPAC3-ethoxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
SMILESCCOc1cc(C(=O)N(C)CCOc2ccccc2C)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C26H34N2O5/c1-4-31-24-18-21(12-13-23(24)33-19-25(29)28-14-8-5-9-15-28)26(30)27(3)16-17-32-22-11-7-6-10-20(22)2/h6-7,10-13,18H,4-5,8-9,14-17,19H2,1-3H3
InChIKeyRPSCXPSHCHDVBN-UHFFFAOYSA-N
MW454.57 g/mol
LogP3.94
Rot. Bonds10

About 3-ethoxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

3-ethoxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (PubChem CID 43033984) has the molecular formula C26H34N2O5 and a molecular weight of 454.57 g/mol. Its IUPAC name is 3-ethoxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
PubChem CID43033984
Molecular FormulaC26H34N2O5
Molecular Weight454.57 g/mol
Exact Mass454.25
IUPAC Name3-ethoxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
SMILESCCOc1cc(C(=O)N(C)CCOc2ccccc2C)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C26H34N2O5/c1-4-31-24-18-21(12-13-23(24)33-19-25(29)28-14-8-5-9-15-28)26(30)27(3)16-17-32-22-11-7-6-10-20(22)2/h6-7,10-13,18H,4-5,8-9,14-17,19H2,1-3H3
InChIKeyRPSCXPSHCHDVBN-UHFFFAOYSA-N
XLogP3.94
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 29260956
N-(2-anilino-2-oxoethyl)-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 46425050
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-(2-methoxyethyl)amino]acetate
CID 55726487
(2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid
CID 100641368
N-(1-aminopropan-2-yl)-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 119582017
3-ethoxy-N-ethyl-N-naphthalen-2-yl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 60607400
N-[[4-(difluoromethoxy)phenyl]methyl]-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 34972567
N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 26979272
2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone
CID 112788345
3-chloro-5-ethoxy-4-hydroxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 112800692
ethyl 4-[2-(2-methylphenoxy)acetyl]-1,4-diazepane-1-carboxylate
CID 110799178

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (CID 43033984) is 3-ethoxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is CCOc1cc(C(=O)N(C)CCOc2ccccc2C)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of 3-ethoxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The InChIKey is RPSCXPSHCHDVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O5/c1-4-31-24-18-21(12-13-23(24)33-19-25(29)28-14-8-5-9-15-28)26(30)27(3)16-17-32-22-11-7-6-10-20(22)2/h6-7,10-13,18H,4-5,8-9,14-17,19H2,1-3H3.
What are the key properties of 3-ethoxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
3-ethoxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide has a molecular weight of 454.57 g/mol, XLogP of 3.94, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 43033984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).