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

C20H22N2O3 — CID 109044154

IUPAC1-N-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C20H22N2O3/c1-4-13(2)21-19(24)15-8-10-16(11-9-15)20(25)22-18-7-5-6-17(12-18)14(3)23/h5-13H,4H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyAZHYFJMOXNRZTC-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.67
Rot. Bonds6

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

1-N-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide (PubChem CID 109044154) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-N-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
PubChem CID109044154
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-N-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C20H22N2O3/c1-4-13(2)21-19(24)15-8-10-16(11-9-15)20(25)22-18-7-5-6-17(12-18)14(3)23/h5-13H,4H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyAZHYFJMOXNRZTC-UHFFFAOYSA-N
XLogP3.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
CID 109044156
N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
CID 42427411
3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide
CID 109102422
methyl 3-[[4-(butan-2-ylcarbamoyl)benzoyl]amino]benzoate
CID 109044159
N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide
CID 42427435
4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide
CID 109080259
N-[3-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide
CID 17198935
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide
CID 42427396
3-(acetylcarbamothioylamino)-N-butan-2-ylbenzamide
CID 17199205
2-(3-acetylanilino)-N-[(2R)-butan-2-yl]acetamide
CID 32897161
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 42427639
N-(3-acetylphenyl)-2-(butan-2-ylamino)pyrimidine-5-carboxamide
CID 109249149

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide (CID 109044154) is 1-N-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide is CCC(C)NC(=O)c1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of 1-N-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide?
The InChIKey is AZHYFJMOXNRZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-4-13(2)21-19(24)15-8-10-16(11-9-15)20(25)22-18-7-5-6-17(12-18)14(3)23/h5-13H,4H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 1-N-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide?
1-N-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109044154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).