3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide

C23H29N3O3 — CID 33037592

IUPAC3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)cc1
InChIInChI=1S/C23H29N3O3/c1-15(2)13-20(27)24-17-9-11-18(12-10-17)25-21(28)16-7-6-8-19(14-16)26-22(29)23(3,4)5/h6-12,14-15H,13H2,1-5H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyVMOZSDYTYQVVNK-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.91
Rot. Bonds6

About 3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide

3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide (PubChem CID 33037592) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
PubChem CID33037592
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)cc1
InChIInChI=1S/C23H29N3O3/c1-15(2)13-20(27)24-17-9-11-18(12-10-17)25-21(28)16-7-6-8-19(14-16)26-22(29)23(3,4)5/h6-12,14-15H,13H2,1-5H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyVMOZSDYTYQVVNK-UHFFFAOYSA-N
XLogP4.91
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide
CID 9325774
3-[[3-(3-methylbutanoylamino)phenyl]carbamoyl]benzoic acid
CID 2232856
3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
CID 789614
N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148
N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 1368374
3-[[2-[4-(3-methylbutanoylamino)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54832794
N-[3-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 33027717
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
methyl 3-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]benzoate
CID 17194141
3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide
CID 35781376
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide (CID 33037592) is 3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide is CC(C)CC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)cc1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide?
The InChIKey is VMOZSDYTYQVVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-15(2)13-20(27)24-17-9-11-18(12-10-17)25-21(28)16-7-6-8-19(14-16)26-22(29)23(3,4)5/h6-12,14-15H,13H2,1-5H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide?
3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide has a molecular weight of 395.50 g/mol, XLogP of 4.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide is sourced from PubChem (CID 33037592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).