(2S)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

C25H26N2O2 — CID 100558956

IUPAC(2S)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C25H26N2O2/c1-18(29-24-11-8-21-4-2-3-5-22(21)17-24)25(28)27-23-9-6-19(7-10-23)16-20-12-14-26-15-13-20/h6-15,17-18H,2-5,16H2,1H3,(H,27,28)/t18-/m0/s1
InChIKeyKOODJUMHMFVSBN-SFHVURJKSA-N
MW386.50 g/mol
LogP4.96
Rot. Bonds6

About (2S)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

(2S)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (PubChem CID 100558956) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (2S)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
PubChem CID100558956
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name(2S)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C25H26N2O2/c1-18(29-24-11-8-21-4-2-3-5-22(21)17-24)25(28)27-23-9-6-19(7-10-23)16-20-12-14-26-15-13-20/h6-15,17-18H,2-5,16H2,1H3,(H,27,28)/t18-/m0/s1
InChIKeyKOODJUMHMFVSBN-SFHVURJKSA-N
XLogP4.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 92534595
(2S)-N-(4-iodophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100547354
4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide
CID 133162538
N-(3-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133161949
N-[4-(1-adamantyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133201667
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187551
2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4944300
(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 100558876
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133160545
(2R)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100566912
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235714
(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100546752

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The IUPAC name of (2S)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (CID 100558956) is (2S)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.
What is the SMILES notation for (2S)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The canonical SMILES for (2S)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of (2S)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The InChIKey is KOODJUMHMFVSBN-SFHVURJKSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-18(29-24-11-8-21-4-2-3-5-22(21)17-24)25(28)27-23-9-6-19(7-10-23)16-20-12-14-26-15-13-20/h6-15,17-18H,2-5,16H2,1H3,(H,27,28)/t18-/m0/s1.
What are the key properties of (2S)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
(2S)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide has a molecular weight of 386.50 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is sourced from PubChem (CID 100558956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).