1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide

C20H23N3O3 — CID 109044156

IUPAC1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C20H23N3O3/c1-4-13(2)21-19(25)15-8-10-16(11-9-15)20(26)23-18-7-5-6-17(12-18)22-14(3)24/h5-13H,4H2,1-3H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyJKPZVYXVLXZOFA-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.43
Rot. Bonds6

About 1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide

1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide (PubChem CID 109044156) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
PubChem CID109044156
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C20H23N3O3/c1-4-13(2)21-19(25)15-8-10-16(11-9-15)20(26)23-18-7-5-6-17(12-18)22-14(3)24/h5-13H,4H2,1-3H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyJKPZVYXVLXZOFA-UHFFFAOYSA-N
XLogP3.43
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
CID 109044154
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831862
N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
CID 42427411
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
methyl 3-[[4-(butan-2-ylcarbamoyl)benzoyl]amino]benzoate
CID 109044159
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831805
N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide
CID 42427435
3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide
CID 109102422
N-[3-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide
CID 17198935
3-(acetylcarbamothioylamino)-N-butan-2-ylbenzamide
CID 17199205
N-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide
CID 42427532
N-[4-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide
CID 17201359

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide (CID 109044156) is 1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide is CCC(C)NC(=O)c1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of 1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide?
The InChIKey is JKPZVYXVLXZOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-13(2)21-19(25)15-8-10-16(11-9-15)20(26)23-18-7-5-6-17(12-18)22-14(3)24/h5-13H,4H2,1-3H3,(H,21,25)(H,22,24)(H,23,26).
What are the key properties of 1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide?
1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109044156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).