4-[[[2-(4-butylphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide

C22H28N2O2 — CID 46422120

IUPAC4-[[[2-(4-butylphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCCCCc1ccc(CC(=O)NCc2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O2/c1-4-5-6-17-7-9-18(10-8-17)15-21(25)23-16-19-11-13-20(14-12-19)22(26)24(2)3/h7-14H,4-6,15-16H2,1-3H3,(H,23,25)
InChIKeyQCHVWQFQWGHYGK-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.59
Rot. Bonds8

About 4-[[[2-(4-butylphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide

4-[[[2-(4-butylphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide (PubChem CID 46422120) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-[[[2-(4-butylphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[[2-(4-butylphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
PubChem CID46422120
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name4-[[[2-(4-butylphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCCCCc1ccc(CC(=O)NCc2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O2/c1-4-5-6-17-7-9-18(10-8-17)15-21(25)23-16-19-11-13-20(14-12-19)22(26)24(2)3/h7-14H,4-6,15-16H2,1-3H3,(H,23,25)
InChIKeyQCHVWQFQWGHYGK-UHFFFAOYSA-N
XLogP3.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-butylphenoxy)-N,N-dimethylbenzamide
CID 146305996
4-butyl-N,N-diethylbenzamide
CID 60675001
(4-butylphenyl)methylcarbamic acid
CID 22507604
N-[(4-butylphenyl)methyl]-1-methylpyridin-1-ium-4-carboxamide
CID 123663391
4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide
CID 119701704
4-[[(N-butyl-N'-methylcarbamimidoyl)amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111149451
2-(4-acetylphenyl)-N-[(4-acetylphenyl)methyl]acetamide
CID 167869260
N,N-dimethyl-4-(methylaminomethyl)benzamide
CID 155590632
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916
2-(4-butylphenyl)-N-(2-methylpropyl)acetamide
CID 60656279
3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81369144
N,N-dimethyl-4-(4-oxopentyl)benzamide
CID 10988164

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(4-butylphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[[2-(4-butylphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide (CID 46422120) is 4-[[[2-(4-butylphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[[2-(4-butylphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[[2-(4-butylphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide is CCCCc1ccc(CC(=O)NCc2ccc(C(=O)N(C)C)cc2)cc1.
What is the InChIKey of 4-[[[2-(4-butylphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is QCHVWQFQWGHYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-4-5-6-17-7-9-18(10-8-17)15-21(25)23-16-19-11-13-20(14-12-19)22(26)24(2)3/h7-14H,4-6,15-16H2,1-3H3,(H,23,25).
What are the key properties of 4-[[[2-(4-butylphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide?
4-[[[2-(4-butylphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 352.48 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(4-butylphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 46422120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).