N-[4-[2-(8-hydroxynaphthalen-2-yl)ethenyl]phenyl]-2,2-dimethylbutanamide

C24H25NO2 — CID 54079414

IUPACN-[4-[2-(8-hydroxynaphthalen-2-yl)ethenyl]phenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(C=Cc2ccc3cccc(O)c3c2)cc1
InChIInChI=1S/C24H25NO2/c1-4-24(2,3)23(27)25-20-14-11-17(12-15-20)8-9-18-10-13-19-6-5-7-22(26)21(19)16-18/h5-16,26H,4H2,1-3H3,(H,25,27)
InChIKeyMLZZATSLIYMEHV-UHFFFAOYSA-N
MW359.47 g/mol
LogP6.09
Rot. Bonds5

About N-[4-[2-(8-hydroxynaphthalen-2-yl)ethenyl]phenyl]-2,2-dimethylbutanamide

N-[4-[2-(8-hydroxynaphthalen-2-yl)ethenyl]phenyl]-2,2-dimethylbutanamide (PubChem CID 54079414) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[4-[2-(8-hydroxynaphthalen-2-yl)ethenyl]phenyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-[2-(8-hydroxynaphthalen-2-yl)ethenyl]phenyl]-2,2-dimethylbutanamide
PubChem CID54079414
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC NameN-[4-[2-(8-hydroxynaphthalen-2-yl)ethenyl]phenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(C=Cc2ccc3cccc(O)c3c2)cc1
InChIInChI=1S/C24H25NO2/c1-4-24(2,3)23(27)25-20-14-11-17(12-15-20)8-9-18-10-13-19-6-5-7-22(26)21(19)16-18/h5-16,26H,4H2,1-3H3,(H,25,27)
InChIKeyMLZZATSLIYMEHV-UHFFFAOYSA-N
XLogP6.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-formylphenyl)-2,2-dimethylbutanamide
CID 89484843
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 669985
2,2-dimethyl-N-naphthalen-1-ylbutanamide
CID 59672446
4-(2,2-dimethylbutanoylamino)-2-hydroxybenzoic acid
CID 55102860
N-(3-bromophenyl)-2,2-dimethylbutanamide
CID 670009
2,2-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]butanamide
CID 177287967
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 669889
2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfanylacetic acid
CID 23382692
[[4-(2,2-dimethylbutanoylamino)phenyl]-hydroxy-propan-2-ylidene-λ6-sulfanylidene]methanolate
CID 23561590
N-(4-carbamothioylphenyl)-2,2-dimethylbutanamide
CID 55103346
7-[(Z)-3-methyliminoprop-1-enyl]naphthalen-1-ol
CID 144659897

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(8-hydroxynaphthalen-2-yl)ethenyl]phenyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[4-[2-(8-hydroxynaphthalen-2-yl)ethenyl]phenyl]-2,2-dimethylbutanamide (CID 54079414) is N-[4-[2-(8-hydroxynaphthalen-2-yl)ethenyl]phenyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[4-[2-(8-hydroxynaphthalen-2-yl)ethenyl]phenyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[4-[2-(8-hydroxynaphthalen-2-yl)ethenyl]phenyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1ccc(C=Cc2ccc3cccc(O)c3c2)cc1.
What is the InChIKey of N-[4-[2-(8-hydroxynaphthalen-2-yl)ethenyl]phenyl]-2,2-dimethylbutanamide?
The InChIKey is MLZZATSLIYMEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-4-24(2,3)23(27)25-20-14-11-17(12-15-20)8-9-18-10-13-19-6-5-7-22(26)21(19)16-18/h5-16,26H,4H2,1-3H3,(H,25,27).
What are the key properties of N-[4-[2-(8-hydroxynaphthalen-2-yl)ethenyl]phenyl]-2,2-dimethylbutanamide?
N-[4-[2-(8-hydroxynaphthalen-2-yl)ethenyl]phenyl]-2,2-dimethylbutanamide has a molecular weight of 359.47 g/mol, XLogP of 6.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(8-hydroxynaphthalen-2-yl)ethenyl]phenyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 54079414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).