(2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

C22H27NO2 — CID 100672901

IUPAC(2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccccc1
InChIInChI=1S/C22H27NO2/c1-3-21(18-10-5-4-6-11-18)23-22(24)16(2)25-20-14-13-17-9-7-8-12-19(17)15-20/h4-6,10-11,13-16,21H,3,7-9,12H2,1-2H3,(H,23,24)/t16-,21-/m0/s1
InChIKeyXJBCLOXJODHPDD-KKSFZXQISA-N
MW337.46 g/mol
LogP4.60
Rot. Bonds6

About (2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

(2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (PubChem CID 100672901) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
PubChem CID100672901
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name(2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccccc1
InChIInChI=1S/C22H27NO2/c1-3-21(18-10-5-4-6-11-18)23-22(24)16(2)25-20-14-13-17-9-7-8-12-19(17)15-20/h4-6,10-11,13-16,21H,3,7-9,12H2,1-2H3,(H,23,24)/t16-,21-/m0/s1
InChIKeyXJBCLOXJODHPDD-KKSFZXQISA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133202798
(2S)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100588926
(2R)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100770909
2-(3,5-dimethylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 133191614
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100604886
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 125083149
(2R)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558239
2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide
CID 43911516
(2S)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558253
(2R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100767335
N-[(2-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133162624
(2S)-2-(3-methoxyphenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 28574627

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The IUPAC name of (2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (CID 100672901) is (2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The canonical SMILES for (2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is CC[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccccc1.
What is the InChIKey of (2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The InChIKey is XJBCLOXJODHPDD-KKSFZXQISA-N. The full InChI is InChI=1S/C22H27NO2/c1-3-21(18-10-5-4-6-11-18)23-22(24)16(2)25-20-14-13-17-9-7-8-12-19(17)15-20/h4-6,10-11,13-16,21H,3,7-9,12H2,1-2H3,(H,23,24)/t16-,21-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
(2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide has a molecular weight of 337.46 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is sourced from PubChem (CID 100672901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).