N-[2-(3-formyl-2-hydroxyphenyl)phenyl]-2,2-dimethylpropanamide

C18H19NO3 — CID 87405583

IUPACN-[2-(3-formyl-2-hydroxyphenyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccccc1-c1cccc(C=O)c1O
InChIInChI=1S/C18H19NO3/c1-18(2,3)17(22)19-15-10-5-4-8-13(15)14-9-6-7-12(11-20)16(14)21/h4-11,21H,1-3H3,(H,19,22)
InChIKeyKSZGRWXPWQVTLQ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.86
Rot. Bonds3

About N-[2-(3-formyl-2-hydroxyphenyl)phenyl]-2,2-dimethylpropanamide

N-[2-(3-formyl-2-hydroxyphenyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 87405583) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[2-(3-formyl-2-hydroxyphenyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(3-formyl-2-hydroxyphenyl)phenyl]-2,2-dimethylpropanamide
PubChem CID87405583
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-[2-(3-formyl-2-hydroxyphenyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccccc1-c1cccc(C=O)c1O
InChIInChI=1S/C18H19NO3/c1-18(2,3)17(22)19-15-10-5-4-8-13(15)14-9-6-7-12(11-20)16(14)21/h4-11,21H,1-3H3,(H,19,22)
InChIKeyKSZGRWXPWQVTLQ-UHFFFAOYSA-N
XLogP3.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
ethane;N-(2-formylphenyl)acetamide
CID 142055624
N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide
CID 64590909
N-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamide
CID 2779664
N-(2-formyl-3-pyridinyl)-2,2-dimethylpropanamide
CID 121217282
methyl 3-(2,2-dimethylpropanoylamino)-2-hydroxybenzoate
CID 23520841
2-hydroxy-3-(4-methylphenyl)benzaldehyde
CID 22507827
N-anthracen-1-yl-2,2-dimethylpropanamide
CID 54051117
2,3-ditert-butyl-5-(3-formyl-2-hydroxyphenyl)-6-hydroxybenzaldehyde
CID 154562263
2-(2,2-dimethylpropanoylamino)-6-methylbenzoate
CID 102356680
N-(1,3-dioxo-2-phenylisoindol-4-yl)-2,2-dimethylpropanamide
CID 960391
methyl 2-(2,2-dimethylpropanoylamino)benzoate
CID 546733

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-formyl-2-hydroxyphenyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(3-formyl-2-hydroxyphenyl)phenyl]-2,2-dimethylpropanamide (CID 87405583) is N-[2-(3-formyl-2-hydroxyphenyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(3-formyl-2-hydroxyphenyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(3-formyl-2-hydroxyphenyl)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccccc1-c1cccc(C=O)c1O.
What is the InChIKey of N-[2-(3-formyl-2-hydroxyphenyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is KSZGRWXPWQVTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-18(2,3)17(22)19-15-10-5-4-8-13(15)14-9-6-7-12(11-20)16(14)21/h4-11,21H,1-3H3,(H,19,22).
What are the key properties of N-[2-(3-formyl-2-hydroxyphenyl)phenyl]-2,2-dimethylpropanamide?
N-[2-(3-formyl-2-hydroxyphenyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 297.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-formyl-2-hydroxyphenyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 87405583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).