4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide

C20H22N2O3 — CID 133162538

IUPAC4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide
SMILESCC(Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H22N2O3/c1-13(20(24)22-17-9-6-15(7-10-17)19(21)23)25-18-11-8-14-4-2-3-5-16(14)12-18/h6-13H,2-5H2,1H3,(H2,21,23)(H,22,24)
InChIKeyNWVMLSMKWDDQES-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.07
Rot. Bonds5

About 4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide

4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide (PubChem CID 133162538) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide.

Molecular Properties

Compound Name4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide
PubChem CID133162538
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide
SMILESCC(Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H22N2O3/c1-13(20(24)22-17-9-6-15(7-10-17)19(21)23)25-18-11-8-14-4-2-3-5-16(14)12-18/h6-13H,2-5H2,1H3,(H2,21,23)(H,22,24)
InChIKeyNWVMLSMKWDDQES-UHFFFAOYSA-N
XLogP3.07
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-iodophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100547354
N-(3-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133161949
4-[2-(4-methoxyphenoxy)propanoylamino]benzamide
CID 2952411
(2S)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558956
N-[4-(1-adamantyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133201667
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427
methyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7667506
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]benzamide
CID 7816278
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 8732506
4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide
CID 1177972
4-[[(2S)-2-(3-chloro-4-fluorophenoxy)propanoyl]amino]benzamide
CID 7751173
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187551

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide?
The IUPAC name of 4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide (CID 133162538) is 4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide.
What is the SMILES notation for 4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide?
The canonical SMILES for 4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide is CC(Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide?
The InChIKey is NWVMLSMKWDDQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13(20(24)22-17-9-6-15(7-10-17)19(21)23)25-18-11-8-14-4-2-3-5-16(14)12-18/h6-13H,2-5H2,1H3,(H2,21,23)(H,22,24).
What are the key properties of 4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide?
4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide has a molecular weight of 338.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide is sourced from PubChem (CID 133162538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).