1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide

C26H28N2O4 — CID 3309530

IUPAC1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
SMILESO=C(c1cccc(C(=O)N(CCO)Cc2ccccc2)c1)N(CCO)Cc1ccccc1
InChIInChI=1S/C26H28N2O4/c29-16-14-27(19-21-8-3-1-4-9-21)25(31)23-12-7-13-24(18-23)26(32)28(15-17-30)20-22-10-5-2-6-11-22/h1-13,18,29-30H,14-17,19-20H2
InChIKeyHJJSCDURWFPGPI-UHFFFAOYSA-N
MW432.52 g/mol
LogP2.96
Rot. Bonds10

About 1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide

1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide (PubChem CID 3309530) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
PubChem CID3309530
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
SMILESO=C(c1cccc(C(=O)N(CCO)Cc2ccccc2)c1)N(CCO)Cc1ccccc1
InChIInChI=1S/C26H28N2O4/c29-16-14-27(19-21-8-3-1-4-9-21)25(31)23-12-7-13-24(18-23)26(32)28(15-17-30)20-22-10-5-2-6-11-22/h1-13,18,29-30H,14-17,19-20H2
InChIKeyHJJSCDURWFPGPI-UHFFFAOYSA-N
XLogP2.96
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3,4-dihydroxy-N-(2-hydroxyethyl)benzamide
CID 103955560
N-benzyl-N-(2-hydroxyethyl)-3-(propanoylamino)benzamide
CID 46988992
N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103844027
3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
N-(2-aminoethyl)-N-benzyl-3-iodobenzamide
CID 104859550
4-(acetamidomethyl)-N-benzyl-N-(2-hydroxyethyl)benzamide
CID 110880403
N-benzyl-N-(2-fluoroethyl)-3-methylbenzamide
CID 11500020
N-benzyl-3-fluoro-N-propylbenzamide
CID 134028425
N-benzyl-3-chloro-N-propylbenzamide
CID 71026265
N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide
CID 3290123
3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide
CID 120648912

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide (CID 3309530) is 1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide is O=C(c1cccc(C(=O)N(CCO)Cc2ccccc2)c1)N(CCO)Cc1ccccc1.
What is the InChIKey of 1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide?
The InChIKey is HJJSCDURWFPGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c29-16-14-27(19-21-8-3-1-4-9-21)25(31)23-12-7-13-24(18-23)26(32)28(15-17-30)20-22-10-5-2-6-11-22/h1-13,18,29-30H,14-17,19-20H2.
What are the key properties of 1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide?
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide has a molecular weight of 432.52 g/mol, XLogP of 2.96, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 3309530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).