2,4-dihydroxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide

C20H24N2O4 — CID 137440584

IUPAC2,4-dihydroxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1
InChIInChI=1S/C20H24N2O4/c1-12(2)15-9-16(18(24)10-17(15)23)20(26)22(4)11-13-5-7-14(8-6-13)19(25)21-3/h5-10,12,23-24H,11H2,1-4H3,(H,21,25)
InChIKeyNXMBGSSXZMSVGH-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.85
Rot. Bonds5

About 2,4-dihydroxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide

2,4-dihydroxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide (PubChem CID 137440584) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2,4-dihydroxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide
PubChem CID137440584
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2,4-dihydroxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1
InChIInChI=1S/C20H24N2O4/c1-12(2)15-9-16(18(24)10-17(15)23)20(26)22(4)11-13-5-7-14(8-6-13)19(25)21-3/h5-10,12,23-24H,11H2,1-4H3,(H,21,25)
InChIKeyNXMBGSSXZMSVGH-UHFFFAOYSA-N
XLogP2.85
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,4-dihydroxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide?
The IUPAC name of 2,4-dihydroxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide (CID 137440584) is 2,4-dihydroxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide.
What is the SMILES notation for 2,4-dihydroxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide?
The canonical SMILES for 2,4-dihydroxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide is CNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1.
What is the InChIKey of 2,4-dihydroxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide?
The InChIKey is NXMBGSSXZMSVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-12(2)15-9-16(18(24)10-17(15)23)20(26)22(4)11-13-5-7-14(8-6-13)19(25)21-3/h5-10,12,23-24H,11H2,1-4H3,(H,21,25).
What are the key properties of 2,4-dihydroxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide?
2,4-dihydroxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide has a molecular weight of 356.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylbenzamide is sourced from PubChem (CID 137440584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).