(2S)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

C24H31NO2 — CID 100604886

IUPAC(2S)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(C)cc1C
InChIInChI=1S/C24H31NO2/c1-5-23(22-13-10-16(2)14-17(22)3)25-24(26)18(4)27-21-12-11-19-8-6-7-9-20(19)15-21/h10-15,18,23H,5-9H2,1-4H3,(H,25,26)/t18-,23-/m0/s1
InChIKeySXTQYLMSWVNGMQ-MBSDFSHPSA-N
MW365.52 g/mol
LogP5.22
Rot. Bonds6

About (2S)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

(2S)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (PubChem CID 100604886) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
PubChem CID100604886
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name(2S)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(C)cc1C
InChIInChI=1S/C24H31NO2/c1-5-23(22-13-10-16(2)14-17(22)3)25-24(26)18(4)27-21-12-11-19-8-6-7-9-20(19)15-21/h10-15,18,23H,5-9H2,1-4H3,(H,25,26)/t18-,23-/m0/s1
InChIKeySXTQYLMSWVNGMQ-MBSDFSHPSA-N
XLogP5.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]propanamide
CID 132652018
N-[1-(2,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 133251756
(2R)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100770909
N-[1-(2,4-dimethylphenyl)propyl]-2-(3-methylphenoxy)propanamide
CID 132651072
(2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100672901
2-(3,5-dimethylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 133191614
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
N-(2,4-dimethylpentan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133185841
N-[1-(4-methylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187740
(2R)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558239
(2S)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558253

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The IUPAC name of (2S)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (CID 100604886) is (2S)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is CC[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(C)cc1C.
What is the InChIKey of (2S)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The InChIKey is SXTQYLMSWVNGMQ-MBSDFSHPSA-N. The full InChI is InChI=1S/C24H31NO2/c1-5-23(22-13-10-16(2)14-17(22)3)25-24(26)18(4)27-21-12-11-19-8-6-7-9-20(19)15-21/h10-15,18,23H,5-9H2,1-4H3,(H,25,26)/t18-,23-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide has a molecular weight of 365.52 g/mol, XLogP of 5.22, 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-(2,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is sourced from PubChem (CID 100604886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).