(2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide

C22H23NO2 — CID 28636461

IUPAC(2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide
SMILESCC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H23NO2/c1-4-21(25-20-12-9-15(2)16(3)13-20)22(24)23-19-11-10-17-7-5-6-8-18(17)14-19/h5-14,21H,4H2,1-3H3,(H,23,24)/t21-/m0/s1
InChIKeyGWNOHVIDYHOMFF-NRFANRHFSA-N
MW333.43 g/mol
LogP5.25
Rot. Bonds5

About (2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide

(2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide (PubChem CID 28636461) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide
PubChem CID28636461
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name(2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide
SMILESCC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H23NO2/c1-4-21(25-20-12-9-15(2)16(3)13-20)22(24)23-19-11-10-17-7-5-6-8-18(17)14-19/h5-14,21H,4H2,1-3H3,(H,23,24)/t21-/m0/s1
InChIKeyGWNOHVIDYHOMFF-NRFANRHFSA-N
XLogP5.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
(2S)-N-(3-chloro-4-methylphenyl)-2-naphthalen-2-yloxybutanamide
CID 94016054
(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 94015863
(2R)-N-(3,4-difluorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92682069
(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92678020
(2S)-2-(3,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 99131438
2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 53284429
N-(3-bromophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 46763093
2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43905698
(2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide
CID 30379357

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide?
The IUPAC name of (2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide (CID 28636461) is (2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide.
What is the SMILES notation for (2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide?
The canonical SMILES for (2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide is CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide?
The InChIKey is GWNOHVIDYHOMFF-NRFANRHFSA-N. The full InChI is InChI=1S/C22H23NO2/c1-4-21(25-20-12-9-15(2)16(3)13-20)22(24)23-19-11-10-17-7-5-6-8-18(17)14-19/h5-14,21H,4H2,1-3H3,(H,23,24)/t21-/m0/s1.
What are the key properties of (2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide?
(2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide has a molecular weight of 333.43 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide is sourced from PubChem (CID 28636461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).