4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide

C23H29N3O3 — CID 55575519

IUPAC4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC(=O)C(C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H29N3O3/c1-15(26-22(29)18-10-12-19(13-11-18)23(2,3)4)20(27)25-14-16-6-8-17(9-7-16)21(28)24-5/h6-13,15H,14H2,1-5H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyVBGMHWMMFRDFED-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.78
Rot. Bonds6

About 4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide

4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide (PubChem CID 55575519) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide
PubChem CID55575519
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC(=O)C(C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H29N3O3/c1-15(26-22(29)18-10-12-19(13-11-18)23(2,3)4)20(27)25-14-16-6-8-17(9-7-16)21(28)24-5/h6-13,15H,14H2,1-5H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyVBGMHWMMFRDFED-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide with MolForge

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Related Compounds

4-tert-butyl-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 8750199
2-methyl-3-[[4-(methylcarbamoyl)phenyl]methylamino]-3-oxopropanoic acid
CID 114898130
methyl 4-[2-[2-[(4-tert-butylbenzoyl)amino]propanoylamino]ethyl]benzoate
CID 46449947
4-tert-butyl-N-[1-oxo-1-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-yl]benzamide
CID 46469562
4-tert-butyl-N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]benzamide
CID 2392296
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]-N-methylbenzamide
CID 60732797
4-tert-butyl-N-[1-[(4-hydroxy-2-methylpentyl)amino]-1-oxopropan-2-yl]benzamide
CID 111447068
4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide
CID 55575717
4-[[[N-[2-(4-tert-butylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-N-methylbenzamide
CID 111892009
N-methyl-4-[[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]methyl]benzamide
CID 111125420
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9227810

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide (CID 55575519) is 4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNC(=O)C(C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide?
The InChIKey is VBGMHWMMFRDFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-15(26-22(29)18-10-12-19(13-11-18)23(2,3)4)20(27)25-14-16-6-8-17(9-7-16)21(28)24-5/h6-13,15H,14H2,1-5H3,(H,24,28)(H,25,27)(H,26,29).
What are the key properties of 4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide?
4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide has a molecular weight of 395.50 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 55575519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).