(2S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

C23H36N2O2 — CID 125053679

IUPAC(2S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCC[C@H]1CCCCN1CCCNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C23H36N2O2/c1-3-21-11-6-7-15-25(21)16-8-14-24-23(26)18(2)27-22-13-12-19-9-4-5-10-20(19)17-22/h12-13,17-18,21H,3-11,14-16H2,1-2H3,(H,24,26)/t18-,21-/m0/s1
InChIKeyOFLDMKVEOKGHNJ-RXVVDRJESA-N
MW372.55 g/mol
LogP4.10
Rot. Bonds8

About (2S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

(2S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (PubChem CID 125053679) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is (2S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
PubChem CID125053679
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Name(2S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCC[C@H]1CCCCN1CCCNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C23H36N2O2/c1-3-21-11-6-7-15-25(21)16-8-14-24-23(26)18(2)27-22-13-12-19-9-4-5-10-20(19)17-22/h12-13,17-18,21H,3-11,14-16H2,1-2H3,(H,24,26)/t18-,21-/m0/s1
InChIKeyOFLDMKVEOKGHNJ-RXVVDRJESA-N
XLogP4.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 94018587
N-(3-pyrrolidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133162658
(2R)-N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100553248
(2R)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 125057183
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide
CID 99866850
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235714
(2S)-N-[3-(4-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100566149
(2S)-N-cyclopentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100702405
(2S)-N-(3-piperidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100569512
1-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-(4-propan-2-yloxyphenyl)thiourea
CID 100686796
(2S)-2-(2,5-dimethylphenoxy)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]butanamide
CID 125042983
N-[3-(4-chlorophenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133200044

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The IUPAC name of (2S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (CID 125053679) is (2S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.
What is the SMILES notation for (2S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The canonical SMILES for (2S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is CC[C@H]1CCCCN1CCCNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2.
What is the InChIKey of (2S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The InChIKey is OFLDMKVEOKGHNJ-RXVVDRJESA-N. The full InChI is InChI=1S/C23H36N2O2/c1-3-21-11-6-7-15-25(21)16-8-14-24-23(26)18(2)27-22-13-12-19-9-4-5-10-20(19)17-22/h12-13,17-18,21H,3-11,14-16H2,1-2H3,(H,24,26)/t18-,21-/m0/s1.
What are the key properties of (2S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
(2S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide has a molecular weight of 372.55 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is sourced from PubChem (CID 125053679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).