3-ethoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide

C22H30N2O3 — CID 45155399

IUPAC3-ethoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide
SMILESCCOc1cccc(C(=O)NCC(c2ccc(C)o2)N2CCC(C)CC2)c1
InChIInChI=1S/C22H30N2O3/c1-4-26-19-7-5-6-18(14-19)22(25)23-15-20(21-9-8-17(3)27-21)24-12-10-16(2)11-13-24/h5-9,14,16,20H,4,10-13,15H2,1-3H3,(H,23,25)
InChIKeyNNRAIZCYVHVKIG-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.19
Rot. Bonds7

About 3-ethoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide

3-ethoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide (PubChem CID 45155399) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide
PubChem CID45155399
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name3-ethoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide
SMILESCCOc1cccc(C(=O)NCC(c2ccc(C)o2)N2CCC(C)CC2)c1
InChIInChI=1S/C22H30N2O3/c1-4-26-19-7-5-6-18(14-19)22(25)23-15-20(21-9-8-17(3)27-21)24-12-10-16(2)11-13-24/h5-9,14,16,20H,4,10-13,15H2,1-3H3,(H,23,25)
InChIKeyNNRAIZCYVHVKIG-UHFFFAOYSA-N
XLogP4.19
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-propan-2-yloxybenzamide
CID 26834823
2-fluoro-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 26834847
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 45155822
N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 26834791
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18164168
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3-ethoxybenzamide
CID 34954508
2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]acetamide
CID 26834779
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]thiadiazole-4-carboxamide;hydrochloride
CID 146052749
N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 26834793
N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834523
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834521
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide
CID 46270223

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 3-ethoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide (CID 45155399) is 3-ethoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide is CCOc1cccc(C(=O)NCC(c2ccc(C)o2)N2CCC(C)CC2)c1.
What is the InChIKey of 3-ethoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide?
The InChIKey is NNRAIZCYVHVKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-4-26-19-7-5-6-18(14-19)22(25)23-15-20(21-9-8-17(3)27-21)24-12-10-16(2)11-13-24/h5-9,14,16,20H,4,10-13,15H2,1-3H3,(H,23,25).
What are the key properties of 3-ethoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide?
3-ethoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide has a molecular weight of 370.49 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 45155399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).