3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide

C27H34N2O4 — CID 46570210

IUPAC3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
SMILESCCOc1cc(C(=O)NCC2CCCc3ccccc32)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C27H34N2O4/c1-2-32-25-17-21(13-14-24(25)33-19-26(30)29-15-6-3-7-16-29)27(31)28-18-22-11-8-10-20-9-4-5-12-23(20)22/h4-5,9,12-14,17,22H,2-3,6-8,10-11,15-16,18-19H2,1H3,(H,28,31)
InChIKeyXFDIBQAKHDTNAJ-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.33
Rot. Bonds8

About 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide

3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide (PubChem CID 46570210) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide.

Molecular Properties

Compound Name3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
PubChem CID46570210
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC Name3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
SMILESCCOc1cc(C(=O)NCC2CCCc3ccccc32)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C27H34N2O4/c1-2-32-25-17-21(13-14-24(25)33-19-26(30)29-15-6-3-7-16-29)27(31)28-18-22-11-8-10-20-9-4-5-12-23(20)22/h4-5,9,12-14,17,22H,2-3,6-8,10-11,15-16,18-19H2,1H3,(H,28,31)
InChIKeyXFDIBQAKHDTNAJ-UHFFFAOYSA-N
XLogP4.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42904406
4-ethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46578689
3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55457672
2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 42997091
3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55724935
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 26102370
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 4656058
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 41113364
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 31216633
2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
CID 119179211
3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46402452

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide?
The IUPAC name of 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide (CID 46570210) is 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide.
What is the SMILES notation for 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide?
The canonical SMILES for 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide is CCOc1cc(C(=O)NCC2CCCc3ccccc32)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide?
The InChIKey is XFDIBQAKHDTNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4/c1-2-32-25-17-21(13-14-24(25)33-19-26(30)29-15-6-3-7-16-29)27(31)28-18-22-11-8-10-20-9-4-5-12-23(20)22/h4-5,9,12-14,17,22H,2-3,6-8,10-11,15-16,18-19H2,1H3,(H,28,31).
What are the key properties of 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide?
3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide has a molecular weight of 450.58 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide is sourced from PubChem (CID 46570210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).