3-[3-(2,2-dimethylpropanoylamino)propanoylamino]-N-methylbenzamide

C16H23N3O3 — CID 33171708

IUPAC3-[3-(2,2-dimethylpropanoylamino)propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CCNC(=O)C(C)(C)C)c1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)15(22)18-9-8-13(20)19-12-7-5-6-11(10-12)14(21)17-4/h5-7,10H,8-9H2,1-4H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyCTRAKLQBBORSNR-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.54
Rot. Bonds5

About 3-[3-(2,2-dimethylpropanoylamino)propanoylamino]-N-methylbenzamide

3-[3-(2,2-dimethylpropanoylamino)propanoylamino]-N-methylbenzamide (PubChem CID 33171708) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[3-(2,2-dimethylpropanoylamino)propanoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[3-(2,2-dimethylpropanoylamino)propanoylamino]-N-methylbenzamide
PubChem CID33171708
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name3-[3-(2,2-dimethylpropanoylamino)propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CCNC(=O)C(C)(C)C)c1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)15(22)18-9-8-13(20)19-12-7-5-6-11(10-12)14(21)17-4/h5-7,10H,8-9H2,1-4H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyCTRAKLQBBORSNR-UHFFFAOYSA-N
XLogP1.54
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-(3-aminopropanoylamino)-N-methylbenzamide
CID 61258621
N-methyl-3-[4-(methylamino)butanoylamino]benzamide
CID 61259505
N-[3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 17406094
N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18154986
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
3-[(3-chloro-2,2-dimethylpropanoyl)amino]-N-methylbenzamide
CID 63678627
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide
CID 54837270
N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846159
3-[[2-(azetidin-3-yl)acetyl]amino]-N-methylbenzamide
CID 64612034
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide
CID 37176425

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2-dimethylpropanoylamino)propanoylamino]-N-methylbenzamide?
The IUPAC name of 3-[3-(2,2-dimethylpropanoylamino)propanoylamino]-N-methylbenzamide (CID 33171708) is 3-[3-(2,2-dimethylpropanoylamino)propanoylamino]-N-methylbenzamide.
What is the SMILES notation for 3-[3-(2,2-dimethylpropanoylamino)propanoylamino]-N-methylbenzamide?
The canonical SMILES for 3-[3-(2,2-dimethylpropanoylamino)propanoylamino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CCNC(=O)C(C)(C)C)c1.
What is the InChIKey of 3-[3-(2,2-dimethylpropanoylamino)propanoylamino]-N-methylbenzamide?
The InChIKey is CTRAKLQBBORSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2,3)15(22)18-9-8-13(20)19-12-7-5-6-11(10-12)14(21)17-4/h5-7,10H,8-9H2,1-4H3,(H,17,21)(H,18,22)(H,19,20).
What are the key properties of 3-[3-(2,2-dimethylpropanoylamino)propanoylamino]-N-methylbenzamide?
3-[3-(2,2-dimethylpropanoylamino)propanoylamino]-N-methylbenzamide has a molecular weight of 305.38 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-dimethylpropanoylamino)propanoylamino]-N-methylbenzamide is sourced from PubChem (CID 33171708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).