4-benzoyl-N-[(2,2-dimethylbutanoylamino)methyl]benzamide

C21H24N2O3 — CID 22084428

IUPAC4-benzoyl-N-[(2,2-dimethylbutanoylamino)methyl]benzamide
SMILESCCC(C)(C)C(=O)NCNC(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O3/c1-4-21(2,3)20(26)23-14-22-19(25)17-12-10-16(11-13-17)18(24)15-8-6-5-7-9-15/h5-13H,4,14H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyQKFYAYGWFFXNTD-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.16
Rot. Bonds7

About 4-benzoyl-N-[(2,2-dimethylbutanoylamino)methyl]benzamide

4-benzoyl-N-[(2,2-dimethylbutanoylamino)methyl]benzamide (PubChem CID 22084428) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-benzoyl-N-[(2,2-dimethylbutanoylamino)methyl]benzamide.

Molecular Properties

Compound Name4-benzoyl-N-[(2,2-dimethylbutanoylamino)methyl]benzamide
PubChem CID22084428
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name4-benzoyl-N-[(2,2-dimethylbutanoylamino)methyl]benzamide
SMILESCCC(C)(C)C(=O)NCNC(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O3/c1-4-21(2,3)20(26)23-14-22-19(25)17-12-10-16(11-13-17)18(24)15-8-6-5-7-9-15/h5-13H,4,14H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyQKFYAYGWFFXNTD-UHFFFAOYSA-N
XLogP3.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(2,2-dimethylbutanoyl)benzohydrazide
CID 129281767
2,2-dimethyl-N-phenacylbutanamide
CID 64991408
N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide
CID 59476635
N-ethylbenzamide
CID 160772566
3-[[4-[3-[(4-benzoylbenzoyl)amino]propylcarbamoyl]-2,2,4-trimethylhexanoyl]amino]propyl-trimethylazanium
CID 59254220
2,2-dimethylpropane;diphenylmethanone
CID 159191976
N-[[(4-benzoylbenzoyl)amino]methyl]-2-ethyl-2,4-dimethyl-N'-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pentanediamide
CID 22084432
N-ethylbenzamide;hydrochloride
CID 57444995
N-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide
CID 62679521
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
benzohydrazide;propane
CID 90709051
N-(4-benzoylphenyl)-2-hydrazinyl-2-methylbutanamide
CID 143231345

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[(2,2-dimethylbutanoylamino)methyl]benzamide?
The IUPAC name of 4-benzoyl-N-[(2,2-dimethylbutanoylamino)methyl]benzamide (CID 22084428) is 4-benzoyl-N-[(2,2-dimethylbutanoylamino)methyl]benzamide.
What is the SMILES notation for 4-benzoyl-N-[(2,2-dimethylbutanoylamino)methyl]benzamide?
The canonical SMILES for 4-benzoyl-N-[(2,2-dimethylbutanoylamino)methyl]benzamide is CCC(C)(C)C(=O)NCNC(=O)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzoyl-N-[(2,2-dimethylbutanoylamino)methyl]benzamide?
The InChIKey is QKFYAYGWFFXNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-4-21(2,3)20(26)23-14-22-19(25)17-12-10-16(11-13-17)18(24)15-8-6-5-7-9-15/h5-13H,4,14H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 4-benzoyl-N-[(2,2-dimethylbutanoylamino)methyl]benzamide?
4-benzoyl-N-[(2,2-dimethylbutanoylamino)methyl]benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[(2,2-dimethylbutanoylamino)methyl]benzamide is sourced from PubChem (CID 22084428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).