(2S)-N-[4-(1-adamantyl)phenyl]-2-naphthalen-2-yloxybutanamide

C30H33NO2 — CID 28580164

IUPAC(2S)-N-[4-(1-adamantyl)phenyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C30H33NO2/c1-2-28(33-27-12-7-23-5-3-4-6-24(23)16-27)29(32)31-26-10-8-25(9-11-26)30-17-20-13-21(18-30)15-22(14-20)19-30/h3-12,16,20-22,28H,2,13-15,17-19H2,1H3,(H,31,32)/t20?,21?,22?,28-,30?/m0/s1
InChIKeyUTQQZCYXDFPTKL-LCXHTYQMSA-N
MW439.60 g/mol
LogP7.10
Rot. Bonds6

About (2S)-N-[4-(1-adamantyl)phenyl]-2-naphthalen-2-yloxybutanamide

(2S)-N-[4-(1-adamantyl)phenyl]-2-naphthalen-2-yloxybutanamide (PubChem CID 28580164) has the molecular formula C30H33NO2 and a molecular weight of 439.60 g/mol. Its IUPAC name is (2S)-N-[4-(1-adamantyl)phenyl]-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound Name(2S)-N-[4-(1-adamantyl)phenyl]-2-naphthalen-2-yloxybutanamide
PubChem CID28580164
Molecular FormulaC30H33NO2
Molecular Weight439.60 g/mol
Exact Mass439.25
IUPAC Name(2S)-N-[4-(1-adamantyl)phenyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C30H33NO2/c1-2-28(33-27-12-7-23-5-3-4-6-24(23)16-27)29(32)31-26-10-8-25(9-11-26)30-17-20-13-21(18-30)15-22(14-20)19-30/h3-12,16,20-22,28H,2,13-15,17-19H2,1H3,(H,31,32)/t20?,21?,22?,28-,30?/m0/s1
InChIKeyUTQQZCYXDFPTKL-LCXHTYQMSA-N
XLogP7.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 57.10
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
N-(4-ethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 43904923
N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284524
methyl 4-[[(2R)-2-naphthalen-2-yloxybutanoyl]amino]benzoate
CID 30382427
methyl 4-(2-naphthalen-2-yloxybutanoylamino)benzoate
CID 43904604
2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide
CID 17071471
(2R)-N-(4-butylphenyl)-2-naphthalen-2-yloxybutanamide
CID 28573574
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166849
(2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide
CID 28636461
(2S)-N-(3-chloro-4-methylphenyl)-2-naphthalen-2-yloxybutanamide
CID 94016054
(2R)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 38010628

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(1-adamantyl)phenyl]-2-naphthalen-2-yloxybutanamide?
The IUPAC name of (2S)-N-[4-(1-adamantyl)phenyl]-2-naphthalen-2-yloxybutanamide (CID 28580164) is (2S)-N-[4-(1-adamantyl)phenyl]-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for (2S)-N-[4-(1-adamantyl)phenyl]-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for (2S)-N-[4-(1-adamantyl)phenyl]-2-naphthalen-2-yloxybutanamide is CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of (2S)-N-[4-(1-adamantyl)phenyl]-2-naphthalen-2-yloxybutanamide?
The InChIKey is UTQQZCYXDFPTKL-LCXHTYQMSA-N. The full InChI is InChI=1S/C30H33NO2/c1-2-28(33-27-12-7-23-5-3-4-6-24(23)16-27)29(32)31-26-10-8-25(9-11-26)30-17-20-13-21(18-30)15-22(14-20)19-30/h3-12,16,20-22,28H,2,13-15,17-19H2,1H3,(H,31,32)/t20?,21?,22?,28-,30?/m0/s1.
What are the key properties of (2S)-N-[4-(1-adamantyl)phenyl]-2-naphthalen-2-yloxybutanamide?
(2S)-N-[4-(1-adamantyl)phenyl]-2-naphthalen-2-yloxybutanamide has a molecular weight of 439.60 g/mol, XLogP of 7.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(1-adamantyl)phenyl]-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 28580164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).