(2R)-N-[2-(2,4-dimethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

C23H29NO3 — CID 100558042

IUPAC(2R)-N-[2-(2,4-dimethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c(C)c1
InChIInChI=1S/C23H29NO3/c1-16-8-11-22(17(2)14-16)26-13-12-24-23(25)18(3)27-21-10-9-19-6-4-5-7-20(19)15-21/h8-11,14-15,18H,4-7,12-13H2,1-3H3,(H,24,25)/t18-/m1/s1
InChIKeyHRWLGRFTIAHIOW-GOSISDBHSA-N
MW367.49 g/mol
LogP4.14
Rot. Bonds7

About (2R)-N-[2-(2,4-dimethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

(2R)-N-[2-(2,4-dimethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (PubChem CID 100558042) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2R)-N-[2-(2,4-dimethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(2,4-dimethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
PubChem CID100558042
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(2R)-N-[2-(2,4-dimethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c(C)c1
InChIInChI=1S/C23H29NO3/c1-16-8-11-22(17(2)14-16)26-13-12-24-23(25)18(3)27-21-10-9-19-6-4-5-7-20(19)15-21/h8-11,14-15,18H,4-7,12-13H2,1-3H3,(H,24,25)/t18-/m1/s1
InChIKeyHRWLGRFTIAHIOW-GOSISDBHSA-N
XLogP4.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133162988
(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100562896
(2R)-N-[2-(4-propylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100563802
N-[2-(4-propylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133185610
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235714
(2R)-N-[2-(2-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100549342
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-ethylphenoxy)propanamide
CID 133239783
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100604886
(2R)-N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100553248
(2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100509467
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 100721079
(2R)-N-[2-(3-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100547724

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2,4-dimethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The IUPAC name of (2R)-N-[2-(2,4-dimethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (CID 100558042) is (2R)-N-[2-(2,4-dimethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.
What is the SMILES notation for (2R)-N-[2-(2,4-dimethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The canonical SMILES for (2R)-N-[2-(2,4-dimethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c(C)c1.
What is the InChIKey of (2R)-N-[2-(2,4-dimethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The InChIKey is HRWLGRFTIAHIOW-GOSISDBHSA-N. The full InChI is InChI=1S/C23H29NO3/c1-16-8-11-22(17(2)14-16)26-13-12-24-23(25)18(3)27-21-10-9-19-6-4-5-7-20(19)15-21/h8-11,14-15,18H,4-7,12-13H2,1-3H3,(H,24,25)/t18-/m1/s1.
What are the key properties of (2R)-N-[2-(2,4-dimethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
(2R)-N-[2-(2,4-dimethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide has a molecular weight of 367.49 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2,4-dimethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is sourced from PubChem (CID 100558042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).