N-[1,5-bis(hydroxymethyl)naphthalen-2-yl]-2-cyanoacetamide

C15H14N2O3 — CID 19350080

IUPACN-[1,5-bis(hydroxymethyl)naphthalen-2-yl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc2c(CO)cccc2c1CO
InChIInChI=1S/C15H14N2O3/c16-7-6-15(20)17-14-5-4-11-10(8-18)2-1-3-12(11)13(14)9-19/h1-5,18-19H,6,8-9H2,(H,17,20)
InChIKeyZGHKEXMWFQTPFT-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.68
Rot. Bonds4

About N-[1,5-bis(hydroxymethyl)naphthalen-2-yl]-2-cyanoacetamide

N-[1,5-bis(hydroxymethyl)naphthalen-2-yl]-2-cyanoacetamide (PubChem CID 19350080) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[1,5-bis(hydroxymethyl)naphthalen-2-yl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[1,5-bis(hydroxymethyl)naphthalen-2-yl]-2-cyanoacetamide
PubChem CID19350080
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-[1,5-bis(hydroxymethyl)naphthalen-2-yl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc2c(CO)cccc2c1CO
InChIInChI=1S/C15H14N2O3/c16-7-6-15(20)17-14-5-4-11-10(8-18)2-1-3-12(11)13(14)9-19/h1-5,18-19H,6,8-9H2,(H,17,20)
InChIKeyZGHKEXMWFQTPFT-UHFFFAOYSA-N
XLogP1.68
TPSA93.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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2-cyano-N-(5-cyanoquinolin-6-yl)acetamide
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2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-cyano-N-(2,3,4-trimethylphenyl)acetamide
CID 115172937
2-cyano-N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923722
N-(2,1-benzothiazol-4-yl)-2-cyanoacetamide
CID 168523166
2-cyano-N-(2,6-difluorophenyl)acetamide
CID 13174846
2-cyano-N-(2,4-dichlorophenyl)acetamide
CID 693146
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CID 82672014
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CID 108923717

Frequently Asked Questions

What is the IUPAC name of N-[1,5-bis(hydroxymethyl)naphthalen-2-yl]-2-cyanoacetamide?
The IUPAC name of N-[1,5-bis(hydroxymethyl)naphthalen-2-yl]-2-cyanoacetamide (CID 19350080) is N-[1,5-bis(hydroxymethyl)naphthalen-2-yl]-2-cyanoacetamide.
What is the SMILES notation for N-[1,5-bis(hydroxymethyl)naphthalen-2-yl]-2-cyanoacetamide?
The canonical SMILES for N-[1,5-bis(hydroxymethyl)naphthalen-2-yl]-2-cyanoacetamide is N#CCC(=O)Nc1ccc2c(CO)cccc2c1CO.
What is the InChIKey of N-[1,5-bis(hydroxymethyl)naphthalen-2-yl]-2-cyanoacetamide?
The InChIKey is ZGHKEXMWFQTPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c16-7-6-15(20)17-14-5-4-11-10(8-18)2-1-3-12(11)13(14)9-19/h1-5,18-19H,6,8-9H2,(H,17,20).
What are the key properties of N-[1,5-bis(hydroxymethyl)naphthalen-2-yl]-2-cyanoacetamide?
N-[1,5-bis(hydroxymethyl)naphthalen-2-yl]-2-cyanoacetamide has a molecular weight of 270.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,5-bis(hydroxymethyl)naphthalen-2-yl]-2-cyanoacetamide is sourced from PubChem (CID 19350080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).