(2S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

C26H34N2O3 — CID 100700382

IUPAC(2S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C26H34N2O3/c1-2-25(31-24-12-11-20-7-3-4-8-21(20)17-24)26(29)27-18-22-9-5-6-10-23(22)19-28-13-15-30-16-14-28/h5-6,9-12,17,25H,2-4,7-8,13-16,18-19H2,1H3,(H,27,29)/t25-/m0/s1
InChIKeyCXAWYRQOSTUTPS-VWLOTQADSA-N
MW422.57 g/mol
LogP3.87
Rot. Bonds8

About (2S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

(2S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (PubChem CID 100700382) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is (2S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.

Molecular Properties

Compound Name(2S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
PubChem CID100700382
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name(2S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C26H34N2O3/c1-2-25(31-24-12-11-20-7-3-4-8-21(20)17-24)26(29)27-18-22-9-5-6-10-23(22)19-28-13-15-30-16-14-28/h5-6,9-12,17,25H,2-4,7-8,13-16,18-19H2,1H3,(H,27,29)/t25-/m0/s1
InChIKeyCXAWYRQOSTUTPS-VWLOTQADSA-N
XLogP3.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133200091
(2R)-N-[(2-methylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100505946
(2R)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100771364
(2S)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxybutanamide
CID 27889691
N-(furan-2-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133231084
2-(3-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133187856
N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185836
2-(4-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 133204186
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(furan-2-ylmethyl)butanamide
CID 45148077
N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133184927
N-(2-phenylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133161448
(2S)-N-(3-piperidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100569512

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The IUPAC name of (2S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (CID 100700382) is (2S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.
What is the SMILES notation for (2S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The canonical SMILES for (2S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of (2S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The InChIKey is CXAWYRQOSTUTPS-VWLOTQADSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-2-25(31-24-12-11-20-7-3-4-8-21(20)17-24)26(29)27-18-22-9-5-6-10-23(22)19-28-13-15-30-16-14-28/h5-6,9-12,17,25H,2-4,7-8,13-16,18-19H2,1H3,(H,27,29)/t25-/m0/s1.
What are the key properties of (2S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
(2S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide has a molecular weight of 422.57 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is sourced from PubChem (CID 100700382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).