2,4-dihydroxy-N-methyl-5-propan-2-yl-N-[[4-(propylcarbamoyl)phenyl]methyl]benzamide

C22H28N2O4 — CID 137440575

IUPAC2,4-dihydroxy-N-methyl-5-propan-2-yl-N-[[4-(propylcarbamoyl)phenyl]methyl]benzamide
SMILESCCCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1
InChIInChI=1S/C22H28N2O4/c1-5-10-23-21(27)16-8-6-15(7-9-16)13-24(4)22(28)18-11-17(14(2)3)19(25)12-20(18)26/h6-9,11-12,14,25-26H,5,10,13H2,1-4H3,(H,23,27)
InChIKeyFPLRZXZDCUKVAU-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.63
Rot. Bonds7

About 2,4-dihydroxy-N-methyl-5-propan-2-yl-N-[[4-(propylcarbamoyl)phenyl]methyl]benzamide

2,4-dihydroxy-N-methyl-5-propan-2-yl-N-[[4-(propylcarbamoyl)phenyl]methyl]benzamide (PubChem CID 137440575) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2,4-dihydroxy-N-methyl-5-propan-2-yl-N-[[4-(propylcarbamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-methyl-5-propan-2-yl-N-[[4-(propylcarbamoyl)phenyl]methyl]benzamide
PubChem CID137440575
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2,4-dihydroxy-N-methyl-5-propan-2-yl-N-[[4-(propylcarbamoyl)phenyl]methyl]benzamide
SMILESCCCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1
InChIInChI=1S/C22H28N2O4/c1-5-10-23-21(27)16-8-6-15(7-9-16)13-24(4)22(28)18-11-17(14(2)3)19(25)12-20(18)26/h6-9,11-12,14,25-26H,5,10,13H2,1-4H3,(H,23,27)
InChIKeyFPLRZXZDCUKVAU-UHFFFAOYSA-N
XLogP3.63
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-methyl-5-propan-2-yl-N-[[4-(propylcarbamoyl)phenyl]methyl]benzamide?
The IUPAC name of 2,4-dihydroxy-N-methyl-5-propan-2-yl-N-[[4-(propylcarbamoyl)phenyl]methyl]benzamide (CID 137440575) is 2,4-dihydroxy-N-methyl-5-propan-2-yl-N-[[4-(propylcarbamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-methyl-5-propan-2-yl-N-[[4-(propylcarbamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 2,4-dihydroxy-N-methyl-5-propan-2-yl-N-[[4-(propylcarbamoyl)phenyl]methyl]benzamide is CCCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1.
What is the InChIKey of 2,4-dihydroxy-N-methyl-5-propan-2-yl-N-[[4-(propylcarbamoyl)phenyl]methyl]benzamide?
The InChIKey is FPLRZXZDCUKVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-5-10-23-21(27)16-8-6-15(7-9-16)13-24(4)22(28)18-11-17(14(2)3)19(25)12-20(18)26/h6-9,11-12,14,25-26H,5,10,13H2,1-4H3,(H,23,27).
What are the key properties of 2,4-dihydroxy-N-methyl-5-propan-2-yl-N-[[4-(propylcarbamoyl)phenyl]methyl]benzamide?
2,4-dihydroxy-N-methyl-5-propan-2-yl-N-[[4-(propylcarbamoyl)phenyl]methyl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 3.63, 7 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-5-propan-2-yl-N-[[4-(propylcarbamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 137440575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).