N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-propan-2-yloxybenzamide

C23H32N2O3 — CID 26834823

IUPACN-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-propan-2-yloxybenzamide
SMILESCc1ccc([C@H](CNC(=O)c2ccc(OC(C)C)cc2)N2CCC(C)CC2)o1
InChIInChI=1S/C23H32N2O3/c1-16(2)27-20-8-6-19(7-9-20)23(26)24-15-21(22-10-5-18(4)28-22)25-13-11-17(3)12-14-25/h5-10,16-17,21H,11-15H2,1-4H3,(H,24,26)/t21-/m0/s1
InChIKeyCLVNNNNQCSYCIZ-NRFANRHFSA-N
MW384.52 g/mol
LogP4.58
Rot. Bonds7

About N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-propan-2-yloxybenzamide

N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-propan-2-yloxybenzamide (PubChem CID 26834823) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-propan-2-yloxybenzamide
PubChem CID26834823
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC NameN-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-propan-2-yloxybenzamide
SMILESCc1ccc([C@H](CNC(=O)c2ccc(OC(C)C)cc2)N2CCC(C)CC2)o1
InChIInChI=1S/C23H32N2O3/c1-16(2)27-20-8-6-19(7-9-20)23(26)24-15-21(22-10-5-18(4)28-22)25-13-11-17(3)12-14-25/h5-10,16-17,21H,11-15H2,1-4H3,(H,24,26)/t21-/m0/s1
InChIKeyCLVNNNNQCSYCIZ-NRFANRHFSA-N
XLogP4.58
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 45155399
4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26834639
4-methoxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052593
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
4-bromo-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26834649
2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]acetamide
CID 26834779
4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052595
4-tert-butyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052592
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]thiadiazole-4-carboxamide;hydrochloride
CID 146052749
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 N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-propan-2-yloxybenzamide (CID 26834823) is N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-propan-2-yloxybenzamide is Cc1ccc([C@H](CNC(=O)c2ccc(OC(C)C)cc2)N2CCC(C)CC2)o1.
What is the InChIKey of N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-propan-2-yloxybenzamide?
The InChIKey is CLVNNNNQCSYCIZ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-16(2)27-20-8-6-19(7-9-20)23(26)24-15-21(22-10-5-18(4)28-22)25-13-11-17(3)12-14-25/h5-10,16-17,21H,11-15H2,1-4H3,(H,24,26)/t21-/m0/s1.
What are the key properties of N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-propan-2-yloxybenzamide?
N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-propan-2-yloxybenzamide has a molecular weight of 384.52 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 26834823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).