2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide

C48H46N4O4 — CID 570721

IUPAC2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
SMILESCC(NC(=O)c1cccc(C(=O)NC(C)c2ccccc2)c1-c1c(C(=O)NC(C)c2ccccc2)cccc1C(=O)NC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C48H46N4O4/c1-31(35-19-9-5-10-20-35)49-45(53)39-27-17-28-40(46(54)50-32(2)36-21-11-6-12-22-36)43(39)44-41(47(55)51-33(3)37-23-13-7-14-24-37)29-18-30-42(44)48(56)52-34(4)38-25-15-8-16-26-38/h5-34H,1-4H3,(H,49,53)(H,50,54)(H,51,55)(H,52,56)
InChIKeyFHNQXOBFIZTUQX-UHFFFAOYSA-N
MW742.92 g/mol
LogP9.32
Rot. Bonds13

About 2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide

2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide (PubChem CID 570721) has the molecular formula C48H46N4O4 and a molecular weight of 742.92 g/mol. Its IUPAC name is 2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
PubChem CID570721
Molecular FormulaC48H46N4O4
Molecular Weight742.92 g/mol
Exact Mass742.35
IUPAC Name2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
SMILESCC(NC(=O)c1cccc(C(=O)NC(C)c2ccccc2)c1-c1c(C(=O)NC(C)c2ccccc2)cccc1C(=O)NC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C48H46N4O4/c1-31(35-19-9-5-10-20-35)49-45(53)39-27-17-28-40(46(54)50-32(2)36-21-11-6-12-22-36)43(39)44-41(47(55)51-33(3)37-23-13-7-14-24-37)29-18-30-42(44)48(56)52-34(4)38-25-15-8-16-26-38/h5-34H,1-4H3,(H,49,53)(H,50,54)(H,51,55)(H,52,56)
InChIKeyFHNQXOBFIZTUQX-UHFFFAOYSA-N
XLogP9.32
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.92
LogP ≤ 59.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide with MolForge

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Related Compounds

2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
N-(1-phenylethyl)-2-sulfanylbenzamide
CID 113218601
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
2-[[(1S)-1-phenylethyl]carbamoyl]benzoate
CID 6929624
N-[(1S)-1-phenylethyl]-2-[[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]diselanyl]benzamide
CID 10531743
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 30117627
N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide
CID 9172998
2-amino-3-chloro-N-(1-phenylethyl)benzamide
CID 82546896
N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide
CID 92666015
2-hydroxy-3-methoxy-N-(1-phenylethyl)benzamide
CID 43176488

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide (CID 570721) is 2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide is CC(NC(=O)c1cccc(C(=O)NC(C)c2ccccc2)c1-c1c(C(=O)NC(C)c2ccccc2)cccc1C(=O)NC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide?
The InChIKey is FHNQXOBFIZTUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H46N4O4/c1-31(35-19-9-5-10-20-35)49-45(53)39-27-17-28-40(46(54)50-32(2)36-21-11-6-12-22-36)43(39)44-41(47(55)51-33(3)37-23-13-7-14-24-37)29-18-30-42(44)48(56)52-34(4)38-25-15-8-16-26-38/h5-34H,1-4H3,(H,49,53)(H,50,54)(H,51,55)(H,52,56).
What are the key properties of 2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide?
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide has a molecular weight of 742.92 g/mol, XLogP of 9.32, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 570721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).