(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide

C24H27NO2 — CID 38019155

IUPAC(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(C)cc1C
InChIInChI=1S/C24H27NO2/c1-5-23(27-21-12-11-19-8-6-7-9-20(19)15-21)24(26)25-18(4)22-13-10-16(2)14-17(22)3/h6-15,18,23H,5H2,1-4H3,(H,25,26)/t18-,23+/m0/s1
InChIKeyHNMFQSWIKDDVPD-FDDCHVKYSA-N
MW361.49 g/mol
LogP5.49
Rot. Bonds6

About (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide

(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide (PubChem CID 38019155) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
PubChem CID38019155
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(C)cc1C
InChIInChI=1S/C24H27NO2/c1-5-23(27-21-12-11-19-8-6-7-9-20(19)15-21)24(26)25-18(4)22-13-10-16(2)14-17(22)3/h6-15,18,23H,5H2,1-4H3,(H,25,26)/t18-,23+/m0/s1
InChIKeyHNMFQSWIKDDVPD-FDDCHVKYSA-N
XLogP5.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxybutanamide
CID 99132936
(2S)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide
CID 94011676
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 92671756
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
CID 92682866
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 133217309
(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide
CID 94020068
(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-phenoxybutanamide
CID 26171764
N-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284433
(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 92683395
N-[1-(4-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 17328429
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 38016327
(2R)-2-naphthalen-2-yloxy-N-(2,4,6-trimethylphenyl)butanamide
CID 28635759

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide?
The IUPAC name of (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide (CID 38019155) is (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide is CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(C)cc1C.
What is the InChIKey of (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide?
The InChIKey is HNMFQSWIKDDVPD-FDDCHVKYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-5-23(27-21-12-11-19-8-6-7-9-20(19)15-21)24(26)25-18(4)22-13-10-16(2)14-17(22)3/h6-15,18,23H,5H2,1-4H3,(H,25,26)/t18-,23+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide?
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide has a molecular weight of 361.49 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 38019155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).