4-[2-[acetyl(methyl)amino]-4-methylphenoxy]-1-hydroxynaphthalene-2-carboxamide

C21H20N2O4 — CID 23383018

IUPAC4-[2-[acetyl(methyl)amino]-4-methylphenoxy]-1-hydroxynaphthalene-2-carboxamide
SMILESCC(=O)N(C)c1cc(C)ccc1Oc1cc(C(N)=O)c(O)c2ccccc12
InChIInChI=1S/C21H20N2O4/c1-12-8-9-18(17(10-12)23(3)13(2)24)27-19-11-16(21(22)26)20(25)15-7-5-4-6-14(15)19/h4-11,25H,1-3H3,(H2,22,26)
InChIKeyGXPJRARSIOBHPN-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.73
Rot. Bonds4

About 4-[2-[acetyl(methyl)amino]-4-methylphenoxy]-1-hydroxynaphthalene-2-carboxamide

4-[2-[acetyl(methyl)amino]-4-methylphenoxy]-1-hydroxynaphthalene-2-carboxamide (PubChem CID 23383018) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-[2-[acetyl(methyl)amino]-4-methylphenoxy]-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-[2-[acetyl(methyl)amino]-4-methylphenoxy]-1-hydroxynaphthalene-2-carboxamide
PubChem CID23383018
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name4-[2-[acetyl(methyl)amino]-4-methylphenoxy]-1-hydroxynaphthalene-2-carboxamide
SMILESCC(=O)N(C)c1cc(C)ccc1Oc1cc(C(N)=O)c(O)c2ccccc12
InChIInChI=1S/C21H20N2O4/c1-12-8-9-18(17(10-12)23(3)13(2)24)27-19-11-16(21(22)26)20(25)15-7-5-4-6-14(15)19/h4-11,25H,1-3H3,(H2,22,26)
InChIKeyGXPJRARSIOBHPN-UHFFFAOYSA-N
XLogP3.73
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[acetyl(methyl)amino]-4-methylphenoxy]-N-(2-dodecoxy-5-methylphenyl)-1-hydroxynaphthalene-2-carboxamide
CID 22947450
4-[2-[acetyl(methyl)amino]phenoxy]-N-(2-dodecoxy-5-methylphenyl)-1-hydroxynaphthalene-2-carboxamide
CID 22947457
4-[2-[[acetyl(methyl)amino]methyl]-4-methylphenoxy]-1-hydroxy-N-methylnaphthalene-2-carboxamide
CID 20670781
(E)-3-[[4-(3-carbamoyl-4-hydroxynaphthalen-1-yl)oxy-3-methylphenyl]methylsulfanyl]prop-2-enoic acid
CID 59899967
5-amino-2-(2,5-dimethylphenoxy)benzamide
CID 61306658
N-[2-(2-carbamothioyl-4-methylphenoxy)phenyl]acetamide
CID 107929518
2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzamide
CID 107713704
2-(3-methylphenoxy)benzamide
CID 70968841
5-amino-2-(2-chloro-4-methylphenoxy)benzamide
CID 62671488
1-hydroxy-4-[2-(4-methylphenoxy)ethoxy]naphthalene-2-carboxylic acid
CID 54339362
4-amino-1-hydroxy-N,N-dimethylnaphthalene-2-carboxamide
CID 14127490
2-(2-methoxy-5-methylphenyl)benzamide
CID 66715055

Frequently Asked Questions

What is the IUPAC name of 4-[2-[acetyl(methyl)amino]-4-methylphenoxy]-1-hydroxynaphthalene-2-carboxamide?
The IUPAC name of 4-[2-[acetyl(methyl)amino]-4-methylphenoxy]-1-hydroxynaphthalene-2-carboxamide (CID 23383018) is 4-[2-[acetyl(methyl)amino]-4-methylphenoxy]-1-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for 4-[2-[acetyl(methyl)amino]-4-methylphenoxy]-1-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for 4-[2-[acetyl(methyl)amino]-4-methylphenoxy]-1-hydroxynaphthalene-2-carboxamide is CC(=O)N(C)c1cc(C)ccc1Oc1cc(C(N)=O)c(O)c2ccccc12.
What is the InChIKey of 4-[2-[acetyl(methyl)amino]-4-methylphenoxy]-1-hydroxynaphthalene-2-carboxamide?
The InChIKey is GXPJRARSIOBHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-12-8-9-18(17(10-12)23(3)13(2)24)27-19-11-16(21(22)26)20(25)15-7-5-4-6-14(15)19/h4-11,25H,1-3H3,(H2,22,26).
What are the key properties of 4-[2-[acetyl(methyl)amino]-4-methylphenoxy]-1-hydroxynaphthalene-2-carboxamide?
4-[2-[acetyl(methyl)amino]-4-methylphenoxy]-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[acetyl(methyl)amino]-4-methylphenoxy]-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 23383018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).