3-N-(1-phenylethyl)-1-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide

C25H26N2O2 — CID 109054468

IUPAC3-N-(1-phenylethyl)-1-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C25H26N2O2/c1-17(2)22-14-7-8-15-23(22)27-25(29)21-13-9-12-20(16-21)24(28)26-18(3)19-10-5-4-6-11-19/h4-18H,1-3H3,(H,26,28)(H,27,29)
InChIKeySJRAQXKBCWFEAO-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.55
Rot. Bonds6

About 3-N-(1-phenylethyl)-1-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide

3-N-(1-phenylethyl)-1-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109054468) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-N-(1-phenylethyl)-1-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(1-phenylethyl)-1-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
PubChem CID109054468
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name3-N-(1-phenylethyl)-1-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C25H26N2O2/c1-17(2)22-14-7-8-15-23(22)27-25(29)21-13-9-12-20(16-21)24(28)26-18(3)19-10-5-4-6-11-19/h4-18H,1-3H3,(H,26,28)(H,27,29)
InChIKeySJRAQXKBCWFEAO-UHFFFAOYSA-N
XLogP5.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid
CID 43452749
1-N-(2-ethoxyphenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054483
N-(2-propan-2-ylphenyl)benzamide
CID 723391
1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054492
3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 681881
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
1-N-(3,5-dimethylphenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054462
2-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 98112407
2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 54790772
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043167
3-N-[(1S)-1-phenylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide
CID 10958899
1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051451

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-phenylethyl)-1-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(1-phenylethyl)-1-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide (CID 109054468) is 3-N-(1-phenylethyl)-1-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(1-phenylethyl)-1-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(1-phenylethyl)-1-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide is CC(C)c1ccccc1NC(=O)c1cccc(C(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of 3-N-(1-phenylethyl)-1-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is SJRAQXKBCWFEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-17(2)22-14-7-8-15-23(22)27-25(29)21-13-9-12-20(16-21)24(28)26-18(3)19-10-5-4-6-11-19/h4-18H,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 3-N-(1-phenylethyl)-1-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide?
3-N-(1-phenylethyl)-1-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 386.50 g/mol, XLogP of 5.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-phenylethyl)-1-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).