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

C20H19NO3 — CID 54134586

IUPACN-[(2,4-dimethylphenoxy)methyl]-1-hydroxynaphthalene-2-carboxamide
SMILESCc1ccc(OCNC(=O)c2ccc3ccccc3c2O)c(C)c1
InChIInChI=1S/C20H19NO3/c1-13-7-10-18(14(2)11-13)24-12-21-20(23)17-9-8-15-5-3-4-6-16(15)19(17)22/h3-11,22H,12H2,1-2H3,(H,21,23)
InChIKeyVMKYICWYAWQGRZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.93
Rot. Bonds4

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

N-[(2,4-dimethylphenoxy)methyl]-1-hydroxynaphthalene-2-carboxamide (PubChem CID 54134586) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(2,4-dimethylphenoxy)methyl]-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenoxy)methyl]-1-hydroxynaphthalene-2-carboxamide
PubChem CID54134586
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC NameN-[(2,4-dimethylphenoxy)methyl]-1-hydroxynaphthalene-2-carboxamide
SMILESCc1ccc(OCNC(=O)c2ccc3ccccc3c2O)c(C)c1
InChIInChI=1S/C20H19NO3/c1-13-7-10-18(14(2)11-13)24-12-21-20(23)17-9-8-15-5-3-4-6-16(15)19(17)22/h3-11,22H,12H2,1-2H3,(H,21,23)
InChIKeyVMKYICWYAWQGRZ-UHFFFAOYSA-N
XLogP3.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide
CID 22948480
N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide
CID 31448668
3-[[6-[4-(2,4-dimethylphenoxy)butylcarbamoyl]-5-hydroxynaphthalen-1-yl]amino]prop-2-ynoic acid
CID 20589160
3,5-bis[(2,4-dimethylphenoxy)methylcarbamoyl]benzenesulfinic acid
CID 20778555
1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea
CID 108870890
2-[(2,4-dimethylphenoxy)methyl]benzohydrazide
CID 63576319
N'-[2-(3,5-dimethylphenoxy)acetyl]-1-hydroxynaphthalene-2-carbohydrazide
CID 1372554
4-cyclohexyloxy-N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide
CID 58658276
N-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide
CID 113342440
1-(1-hydroxynaphthalen-2-yl)-3-(4-methylphenyl)propane-1,3-dione
CID 939829
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7468232
1-[(2,4-dimethylphenoxy)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 108870558

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenoxy)methyl]-1-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(2,4-dimethylphenoxy)methyl]-1-hydroxynaphthalene-2-carboxamide (CID 54134586) is N-[(2,4-dimethylphenoxy)methyl]-1-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethylphenoxy)methyl]-1-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethylphenoxy)methyl]-1-hydroxynaphthalene-2-carboxamide is Cc1ccc(OCNC(=O)c2ccc3ccccc3c2O)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenoxy)methyl]-1-hydroxynaphthalene-2-carboxamide?
The InChIKey is VMKYICWYAWQGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-13-7-10-18(14(2)11-13)24-12-21-20(23)17-9-8-15-5-3-4-6-16(15)19(17)22/h3-11,22H,12H2,1-2H3,(H,21,23).
What are the key properties of N-[(2,4-dimethylphenoxy)methyl]-1-hydroxynaphthalene-2-carboxamide?
N-[(2,4-dimethylphenoxy)methyl]-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenoxy)methyl]-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 54134586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).