(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide

C21H33NO2 — CID 100544151

IUPAC(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESC[C@@H](Oc1cccc2c1CCCC2)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C21H33NO2/c1-15(19(23)22-21(5,6)14-20(2,3)4)24-18-13-9-11-16-10-7-8-12-17(16)18/h9,11,13,15H,7-8,10,12,14H2,1-6H3,(H,22,23)/t15-/m1/s1
InChIKeyPVULJSIMYQNNIO-OAHLLOKOSA-N
MW331.50 g/mol
LogP4.66
Rot. Bonds5

About (2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide

(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide (PubChem CID 100544151) has the molecular formula C21H33NO2 and a molecular weight of 331.50 g/mol. Its IUPAC name is (2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide
PubChem CID100544151
Molecular FormulaC21H33NO2
Molecular Weight331.50 g/mol
Exact Mass331.25
IUPAC Name(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESC[C@@H](Oc1cccc2c1CCCC2)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C21H33NO2/c1-15(19(23)22-21(5,6)14-20(2,3)4)24-18-13-9-11-16-10-7-8-12-17(16)18/h9,11,13,15H,7-8,10,12,14H2,1-6H3,(H,22,23)/t15-/m1/s1
InChIKeyPVULJSIMYQNNIO-OAHLLOKOSA-N
XLogP4.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133161578
(2R)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100734384
N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133184465
N-(cyclohexylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133185624
(2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100756989
(2R)-N-(2-ethyl-6-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100682201
N-(2-cyclopentylsulfanylethyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133235185
N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133261915
(2R)-N-[2-(4-chlorophenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100541446
methyl 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzoate
CID 133163126
N-(3-methyl-1-phenylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133184885
(2S)-N-[(2S)-1-phenoxypropan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100502077

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The IUPAC name of (2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide (CID 100544151) is (2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The canonical SMILES for (2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide is C[C@@H](Oc1cccc2c1CCCC2)C(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of (2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The InChIKey is PVULJSIMYQNNIO-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H33NO2/c1-15(19(23)22-21(5,6)14-20(2,3)4)24-18-13-9-11-16-10-7-8-12-17(16)18/h9,11,13,15H,7-8,10,12,14H2,1-6H3,(H,22,23)/t15-/m1/s1.
What are the key properties of (2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide?
(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide has a molecular weight of 331.50 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide is sourced from PubChem (CID 100544151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).