N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide

C16H19NO2 — CID 61166883

IUPACN-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide
SMILESCC(C)(C)CNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C16H19NO2/c1-16(2,3)10-17-15(19)13-8-11-6-4-5-7-12(11)9-14(13)18/h4-9,18H,10H2,1-3H3,(H,17,19)
InChIKeyAPEZBJWQMCMTLM-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.32
Rot. Bonds2

About N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide

N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide (PubChem CID 61166883) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide
PubChem CID61166883
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide
SMILESCC(C)(C)CNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C16H19NO2/c1-16(2,3)10-17-15(19)13-8-11-6-4-5-7-12(11)9-14(13)18/h4-9,18H,10H2,1-3H3,(H,17,19)
InChIKeyAPEZBJWQMCMTLM-UHFFFAOYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)naphthalene-2-carboxamide
CID 115665358
3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide
CID 3119117
3-hydroxy-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide
CID 43403898
3-hydroxy-N-(2-methylsulfanylethyl)naphthalene-2-carboxamide
CID 60629996
N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide
CID 110473782
3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide
CID 115628024
3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide
CID 115325898
3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide
CID 103722595
3-hydroxy-N-(3-methylsulfanylbutyl)naphthalene-2-carboxamide
CID 115604498
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 41276041
N-(2-cyclopropylpropyl)-3-hydroxynaphthalene-2-carboxamide
CID 115591184
3-hydroxynaphthalene-2-carbohydrazide;sulfuric acid
CID 160733684

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide (CID 61166883) is N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide is CC(C)(C)CNC(=O)c1cc2ccccc2cc1O.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is APEZBJWQMCMTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-16(2,3)10-17-15(19)13-8-11-6-4-5-7-12(11)9-14(13)18/h4-9,18H,10H2,1-3H3,(H,17,19).
What are the key properties of N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide?
N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 61166883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).