N-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylphenyl]-2-methylpropanamide

C23H29N3O3 — CID 55708659

IUPACN-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylphenyl]-2-methylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1cc(NC(=O)C(C)C)ccc1C)c1ccc(C)cc1
InChIInChI=1S/C23H29N3O3/c1-14(2)23(29)25-19-11-8-16(4)20(12-19)26-22(28)13-21(24-17(5)27)18-9-6-15(3)7-10-18/h6-12,14,21H,13H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyCCADALBWWMZHNE-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.10
Rot. Bonds7

About N-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylphenyl]-2-methylpropanamide

N-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylphenyl]-2-methylpropanamide (PubChem CID 55708659) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylphenyl]-2-methylpropanamide
PubChem CID55708659
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylphenyl]-2-methylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1cc(NC(=O)C(C)C)ccc1C)c1ccc(C)cc1
InChIInChI=1S/C23H29N3O3/c1-14(2)23(29)25-19-11-8-16(4)20(12-19)26-22(28)13-21(24-17(5)27)18-9-6-15(3)7-10-18/h6-12,14,21H,13H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyCCADALBWWMZHNE-UHFFFAOYSA-N
XLogP4.10
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 51195326
3-acetamido-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylpropanamide
CID 55762719
3-acetamido-N-[2-chloro-5-(propanoylamino)phenyl]-3-(4-methylphenyl)propanamide
CID 55799139
3-acetamido-N-(3,5-dimethylphenyl)-3-(4-methylphenyl)propanamide
CID 51195095
3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195190
3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 55786201
3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide
CID 46690602
N-(5-acetamido-2-methylphenyl)-3-methylbutanamide
CID 47191002
N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide
CID 119949941
3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195101
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide
CID 51314411

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylphenyl]-2-methylpropanamide (CID 55708659) is N-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylphenyl]-2-methylpropanamide is CC(=O)NC(CC(=O)Nc1cc(NC(=O)C(C)C)ccc1C)c1ccc(C)cc1.
What is the InChIKey of N-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylphenyl]-2-methylpropanamide?
The InChIKey is CCADALBWWMZHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-14(2)23(29)25-19-11-8-16(4)20(12-19)26-22(28)13-21(24-17(5)27)18-9-6-15(3)7-10-18/h6-12,14,21H,13H2,1-5H3,(H,24,27)(H,25,29)(H,26,28).
What are the key properties of N-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylphenyl]-2-methylpropanamide?
N-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylphenyl]-2-methylpropanamide has a molecular weight of 395.50 g/mol, XLogP of 4.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 55708659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).