N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide

C15H17NO2 — CID 64590909

IUPACN-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C15H17NO2/c1-15(2,3)14(18)16-12-8-4-7-11-10(12)6-5-9-13(11)17/h4-9,17H,1-3H3,(H,16,18)
InChIKeyVZSZYAMSVRGSNZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.53
Rot. Bonds1

About N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide

N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide (PubChem CID 64590909) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide
PubChem CID64590909
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC NameN-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C15H17NO2/c1-15(2,3)14(18)16-12-8-4-7-11-10(12)6-5-9-13(11)17/h4-9,17H,1-3H3,(H,16,18)
InChIKeyVZSZYAMSVRGSNZ-UHFFFAOYSA-N
XLogP3.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[(5-hydroxynaphthalen-1-yl)amino]-3-oxopropanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide (CID 64590909) is N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc2c(O)cccc12.
What is the InChIKey of N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide?
The InChIKey is VZSZYAMSVRGSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-15(2,3)14(18)16-12-8-4-7-11-10(12)6-5-9-13(11)17/h4-9,17H,1-3H3,(H,16,18).
What are the key properties of N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide?
N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide has a molecular weight of 243.31 g/mol, XLogP of 3.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 64590909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).