N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide

C23H25NO3 — CID 22948480

IUPACN-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide
SMILESCc1ccc(OCCCCNC(=O)c2ccc3ccccc3c2O)c(C)c1
InChIInChI=1S/C23H25NO3/c1-16-9-12-21(17(2)15-16)27-14-6-5-13-24-23(26)20-11-10-18-7-3-4-8-19(18)22(20)25/h3-4,7-12,15,25H,5-6,13-14H2,1-2H3,(H,24,26)
InChIKeyNFAJZPPPQJEVSA-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.75
Rot. Bonds7

About N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide

N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide (PubChem CID 22948480) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide
PubChem CID22948480
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC NameN-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide
SMILESCc1ccc(OCCCCNC(=O)c2ccc3ccccc3c2O)c(C)c1
InChIInChI=1S/C23H25NO3/c1-16-9-12-21(17(2)15-16)27-14-6-5-13-24-23(26)20-11-10-18-7-3-4-8-19(18)22(20)25/h3-4,7-12,15,25H,5-6,13-14H2,1-2H3,(H,24,26)
InChIKeyNFAJZPPPQJEVSA-UHFFFAOYSA-N
XLogP4.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dimethylphenoxy)methyl]-1-hydroxynaphthalene-2-carboxamide
CID 54134586
4-cyclohexyloxy-N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide
CID 58658276
3-[[6-[4-(2,4-dimethylphenoxy)butylcarbamoyl]-5-hydroxynaphthalen-1-yl]amino]prop-2-ynoic acid
CID 20589160
N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide
CID 31448668
4-(2-butoxy-5-methylphenyl)sulfanyl-N-dodecyl-1-hydroxynaphthalene-2-carboxamide
CID 59109681
N-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8531999
N-[3-(2,4-dimethylphenoxy)propyl]propanamide
CID 20669618
4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 8531985
4-bromo-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 8531936
2,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide
CID 100688787
3-[[5-hydroxy-6-[4-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]butylcarbamoyl]naphthalen-1-yl]amino]prop-2-ynoic acid
CID 22085882
N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide
CID 36962711

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide (CID 22948480) is N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide is Cc1ccc(OCCCCNC(=O)c2ccc3ccccc3c2O)c(C)c1.
What is the InChIKey of N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide?
The InChIKey is NFAJZPPPQJEVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-16-9-12-21(17(2)15-16)27-14-6-5-13-24-23(26)20-11-10-18-7-3-4-8-19(18)22(20)25/h3-4,7-12,15,25H,5-6,13-14H2,1-2H3,(H,24,26).
What are the key properties of N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide?
N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 22948480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).