1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide

C20H23N3O3 — CID 109056044

IUPAC1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cccc(C(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C20H23N3O3/c1-13(24)21-16-9-6-10-17(12-16)22-18(25)14-7-5-8-15(11-14)19(26)23-20(2,3)4/h5-12H,1-4H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyVWPQKWQYMNBACP-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.43
Rot. Bonds4

About 1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide

1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide (PubChem CID 109056044) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide
PubChem CID109056044
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cccc(C(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C20H23N3O3/c1-13(24)21-16-9-6-10-17(12-16)22-18(25)14-7-5-8-15(11-14)19(26)23-20(2,3)4/h5-12H,1-4H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyVWPQKWQYMNBACP-UHFFFAOYSA-N
XLogP3.43
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109055991
3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109055998
N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide
CID 879535
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
1-N-(4-bromo-3-methylphenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide
CID 109056065
N-tert-butyl-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide
CID 87006555
3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide
CID 109056003
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
N-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 28639414
N-[3-(tert-butylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 28639375

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide (CID 109056044) is 1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide is CC(=O)Nc1cccc(NC(=O)c2cccc(C(=O)NC(C)(C)C)c2)c1.
What is the InChIKey of 1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide?
The InChIKey is VWPQKWQYMNBACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13(24)21-16-9-6-10-17(12-16)22-18(25)14-7-5-8-15(11-14)19(26)23-20(2,3)4/h5-12H,1-4H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of 1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide?
1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109056044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).