N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-4-methyl-3-(methylamino)benzamide

C22H28N2O2 — CID 170731819

IUPACN-[3-ethyl-4-(2-methylbutanoyl)phenyl]-4-methyl-3-(methylamino)benzamide
SMILESCCc1cc(NC(=O)c2ccc(C)c(NC)c2)ccc1C(=O)C(C)CC
InChIInChI=1S/C22H28N2O2/c1-6-14(3)21(25)19-11-10-18(12-16(19)7-2)24-22(26)17-9-8-15(4)20(13-17)23-5/h8-14,23H,6-7H2,1-5H3,(H,24,26)
InChIKeyCMZBXFJXNOYEEB-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.08
Rot. Bonds7

About N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-4-methyl-3-(methylamino)benzamide

N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-4-methyl-3-(methylamino)benzamide (PubChem CID 170731819) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-4-methyl-3-(methylamino)benzamide.

Molecular Properties

Compound NameN-[3-ethyl-4-(2-methylbutanoyl)phenyl]-4-methyl-3-(methylamino)benzamide
PubChem CID170731819
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[3-ethyl-4-(2-methylbutanoyl)phenyl]-4-methyl-3-(methylamino)benzamide
SMILESCCc1cc(NC(=O)c2ccc(C)c(NC)c2)ccc1C(=O)C(C)CC
InChIInChI=1S/C22H28N2O2/c1-6-14(3)21(25)19-11-10-18(12-16(19)7-2)24-22(26)17-9-8-15(4)20(13-17)23-5/h8-14,23H,6-7H2,1-5H3,(H,24,26)
InChIKeyCMZBXFJXNOYEEB-UHFFFAOYSA-N
XLogP5.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-6-methylpyridine-2-carboxamide
CID 170731792
N-(3-fluorophenyl)-4-methyl-3-(methylamino)benzamide
CID 146654159
1-(3-chloro-4-methylphenyl)-3-[[3-ethyl-4-(2-methylbutanoyl)phenyl]methyl]urea
CID 166985301
N-(4-ethylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63210110
N-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide
CID 112980469
N-[3-ethyl-4-(2-methylpropanoyl)phenyl]-3-(2-methoxyethoxy)benzamide
CID 170731884
N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide
CID 28866890
4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide
CID 86977710
N-[3-ethyl-4-(2-methylpropanoyl)phenyl]-4-(2-hydroxy-2-methylhydrazinyl)benzamide;3-methyloctane-2,6-dione
CID 170731836
3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 893199
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41454864
2-ethyl-4-(pyridine-4-carbonylamino)benzoic acid
CID 19699090

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-4-methyl-3-(methylamino)benzamide?
The IUPAC name of N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-4-methyl-3-(methylamino)benzamide (CID 170731819) is N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-4-methyl-3-(methylamino)benzamide.
What is the SMILES notation for N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-4-methyl-3-(methylamino)benzamide?
The canonical SMILES for N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-4-methyl-3-(methylamino)benzamide is CCc1cc(NC(=O)c2ccc(C)c(NC)c2)ccc1C(=O)C(C)CC.
What is the InChIKey of N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-4-methyl-3-(methylamino)benzamide?
The InChIKey is CMZBXFJXNOYEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-6-14(3)21(25)19-11-10-18(12-16(19)7-2)24-22(26)17-9-8-15(4)20(13-17)23-5/h8-14,23H,6-7H2,1-5H3,(H,24,26).
What are the key properties of N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-4-methyl-3-(methylamino)benzamide?
N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-4-methyl-3-(methylamino)benzamide has a molecular weight of 352.48 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-4-methyl-3-(methylamino)benzamide is sourced from PubChem (CID 170731819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).