4-[2-[[acetyl(methyl)amino]methyl]-4-methylphenoxy]-1-hydroxy-N-methylnaphthalene-2-carboxamide

C23H24N2O4 — CID 20670781

IUPAC4-[2-[[acetyl(methyl)amino]methyl]-4-methylphenoxy]-1-hydroxy-N-methylnaphthalene-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(C)cc2CN(C)C(C)=O)c2ccccc2c1O
InChIInChI=1S/C23H24N2O4/c1-14-9-10-20(16(11-14)13-25(4)15(2)26)29-21-12-19(23(28)24-3)22(27)18-8-6-5-7-17(18)21/h5-12,27H,13H2,1-4H3,(H,24,28)
InChIKeyDJECWOWQVHRTCZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.98
Rot. Bonds5

About 4-[2-[[acetyl(methyl)amino]methyl]-4-methylphenoxy]-1-hydroxy-N-methylnaphthalene-2-carboxamide

4-[2-[[acetyl(methyl)amino]methyl]-4-methylphenoxy]-1-hydroxy-N-methylnaphthalene-2-carboxamide (PubChem CID 20670781) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[2-[[acetyl(methyl)amino]methyl]-4-methylphenoxy]-1-hydroxy-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-[2-[[acetyl(methyl)amino]methyl]-4-methylphenoxy]-1-hydroxy-N-methylnaphthalene-2-carboxamide
PubChem CID20670781
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name4-[2-[[acetyl(methyl)amino]methyl]-4-methylphenoxy]-1-hydroxy-N-methylnaphthalene-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(C)cc2CN(C)C(C)=O)c2ccccc2c1O
InChIInChI=1S/C23H24N2O4/c1-14-9-10-20(16(11-14)13-25(4)15(2)26)29-21-12-19(23(28)24-3)22(27)18-8-6-5-7-17(18)21/h5-12,27H,13H2,1-4H3,(H,24,28)
InChIKeyDJECWOWQVHRTCZ-UHFFFAOYSA-N
XLogP3.98
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[acetyl(methyl)amino]-4-methylphenoxy]-1-hydroxynaphthalene-2-carboxamide
CID 23383018
4-[2-[acetyl(methyl)amino]phenoxy]-N-(2-dodecoxy-5-methylphenyl)-1-hydroxynaphthalene-2-carboxamide
CID 22947457
4-[2-[acetyl(methyl)amino]-4-methylphenoxy]-N-(2-dodecoxy-5-methylphenyl)-1-hydroxynaphthalene-2-carboxamide
CID 22947450
N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide
CID 130034284
N-[[5-[[acetyl(methyl)amino]methyl]-2,4-dimethoxyphenyl]methyl]-N-methylacetamide
CID 50941876
(2S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 31564062
(2R)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 39968005
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide
CID 115191161
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
2-[3-[2-[[acetyl(methyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58149215
2-ethyl-1-(2-ethyl-4-methylphenoxy)-4-methylbenzene
CID 57313101
N-[(2,4-dimethylphenoxy)methyl]-1-hydroxynaphthalene-2-carboxamide
CID 54134586

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[acetyl(methyl)amino]methyl]-4-methylphenoxy]-1-hydroxy-N-methylnaphthalene-2-carboxamide?
The IUPAC name of 4-[2-[[acetyl(methyl)amino]methyl]-4-methylphenoxy]-1-hydroxy-N-methylnaphthalene-2-carboxamide (CID 20670781) is 4-[2-[[acetyl(methyl)amino]methyl]-4-methylphenoxy]-1-hydroxy-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for 4-[2-[[acetyl(methyl)amino]methyl]-4-methylphenoxy]-1-hydroxy-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for 4-[2-[[acetyl(methyl)amino]methyl]-4-methylphenoxy]-1-hydroxy-N-methylnaphthalene-2-carboxamide is CNC(=O)c1cc(Oc2ccc(C)cc2CN(C)C(C)=O)c2ccccc2c1O.
What is the InChIKey of 4-[2-[[acetyl(methyl)amino]methyl]-4-methylphenoxy]-1-hydroxy-N-methylnaphthalene-2-carboxamide?
The InChIKey is DJECWOWQVHRTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-14-9-10-20(16(11-14)13-25(4)15(2)26)29-21-12-19(23(28)24-3)22(27)18-8-6-5-7-17(18)21/h5-12,27H,13H2,1-4H3,(H,24,28).
What are the key properties of 4-[2-[[acetyl(methyl)amino]methyl]-4-methylphenoxy]-1-hydroxy-N-methylnaphthalene-2-carboxamide?
4-[2-[[acetyl(methyl)amino]methyl]-4-methylphenoxy]-1-hydroxy-N-methylnaphthalene-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.98, 5 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]methyl]-4-methylphenoxy]-1-hydroxy-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 20670781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).