(2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

C16H21NO2 — CID 100756989

IUPAC(2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESC=CCNC(=O)[C@@H](C)Oc1cccc2c1CCCC2
InChIInChI=1S/C16H21NO2/c1-3-11-17-16(18)12(2)19-15-10-6-8-13-7-4-5-9-14(13)15/h3,6,8,10,12H,1,4-5,7,9,11H2,2H3,(H,17,18)/t12-/m1/s1
InChIKeyTWRUSJCJNNXJIC-GFCCVEGCSA-N
MW259.35 g/mol
LogP2.63
Rot. Bonds5

About (2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

(2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (PubChem CID 100756989) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.

Molecular Properties

Compound Name(2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
PubChem CID100756989
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESC=CCNC(=O)[C@@H](C)Oc1cccc2c1CCCC2
InChIInChI=1S/C16H21NO2/c1-3-11-17-16(18)12(2)19-15-10-6-8-13-7-4-5-9-14(13)15/h3,6,8,10,12H,1,4-5,7,9,11H2,2H3,(H,17,18)/t12-/m1/s1
InChIKeyTWRUSJCJNNXJIC-GFCCVEGCSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133184465
2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-prop-2-enylpropanamide
CID 65453871
N-(cyclohexylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133185624
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
(2R)-N-[2-(4-chlorophenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100541446
N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133261915
2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide
CID 43143434
N-(2-cyclopentylsulfanylethyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133235185
(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 100544151
N-[2-(4-chlorophenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133164804
N-[2-(4-ethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133234673

Frequently Asked Questions

What is the IUPAC name of (2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The IUPAC name of (2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (CID 100756989) is (2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.
What is the SMILES notation for (2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The canonical SMILES for (2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is C=CCNC(=O)[C@@H](C)Oc1cccc2c1CCCC2.
What is the InChIKey of (2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The InChIKey is TWRUSJCJNNXJIC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-11-17-16(18)12(2)19-15-10-6-8-13-7-4-5-9-14(13)15/h3,6,8,10,12H,1,4-5,7,9,11H2,2H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
(2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide has a molecular weight of 259.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is sourced from PubChem (CID 100756989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).