N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxybenzamide

C32H36N4O4 — CID 127024846

IUPACN-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxybenzamide
SMILESCCN(CC)CCOc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc(C)ncc3C)cc2)cc1
InChIInChI=1S/C32H36N4O4/c1-5-35(6-2)17-18-40-28-14-7-24(8-15-28)21-36(32(39)29-16-13-27(37)19-30(29)38)26-11-9-25(10-12-26)31-22(3)20-33-23(4)34-31/h7-16,19-20,37-38H,5-6,17-18,21H2,1-4H3
InChIKeyMADDXIDRBJNRSI-UHFFFAOYSA-N
MW540.66 g/mol
LogP5.74
Rot. Bonds11

About N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxybenzamide

N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxybenzamide (PubChem CID 127024846) has the molecular formula C32H36N4O4 and a molecular weight of 540.66 g/mol. Its IUPAC name is N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxybenzamide
PubChem CID127024846
Molecular FormulaC32H36N4O4
Molecular Weight540.66 g/mol
Exact Mass540.27
IUPAC NameN-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxybenzamide
SMILESCCN(CC)CCOc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc(C)ncc3C)cc2)cc1
InChIInChI=1S/C32H36N4O4/c1-5-35(6-2)17-18-40-28-14-7-24(8-15-28)21-36(32(39)29-16-13-27(37)19-30(29)38)26-11-9-25(10-12-26)31-22(3)20-33-23(4)34-31/h7-16,19-20,37-38H,5-6,17-18,21H2,1-4H3
InChIKeyMADDXIDRBJNRSI-UHFFFAOYSA-N
XLogP5.74
TPSA99.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.66
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxybenzamide?
The IUPAC name of N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxybenzamide (CID 127024846) is N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxybenzamide.
What is the SMILES notation for N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxybenzamide?
The canonical SMILES for N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxybenzamide is CCN(CC)CCOc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc(C)ncc3C)cc2)cc1.
What is the InChIKey of N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxybenzamide?
The InChIKey is MADDXIDRBJNRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O4/c1-5-35(6-2)17-18-40-28-14-7-24(8-15-28)21-36(32(39)29-16-13-27(37)19-30(29)38)26-11-9-25(10-12-26)31-22(3)20-33-23(4)34-31/h7-16,19-20,37-38H,5-6,17-18,21H2,1-4H3.
What are the key properties of N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxybenzamide?
N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxybenzamide has a molecular weight of 540.66 g/mol, XLogP of 5.74, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-2,4-dihydroxybenzamide is sourced from PubChem (CID 127024846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).