N-benzyl-5-formamido-3,4-dihydroxy-2-methylpentanamide;1,3-difluoro-5-methylbenzene;3,5-dimethyl-N,N-dipropylbenzamide

C36H49F2N3O5 — CID 142205163

About N-benzyl-5-formamido-3,4-dihydroxy-2-methylpentanamide;1,3-difluoro-5-methylbenzene;3,5-dimethyl-N,N-dipropylbenzamide

N-benzyl-5-formamido-3,4-dihydroxy-2-methylpentanamide;1,3-difluoro-5-methylbenzene;3,5-dimethyl-N,N-dipropylbenzamide (PubChem CID 142205163) has the molecular formula C36H49F2N3O5 and a molecular weight of 641.80 g/mol. Its IUPAC name is N-benzyl-5-formamido-3,4-dihydroxy-2-methylpentanamide;1,3-difluoro-5-methylbenzene;3,5-dimethyl-N,N-dipropylbenzamide.

Molecular Properties

• Compound Name: N-benzyl-5-formamido-3,4-dihydroxy-2-methylpentanamide;1,3-difluoro-5-methylbenzene;3,5-dimethyl-N,N-dipropylbenzamide
• PubChem CID: 142205163
• Molecular Formula: C36H49F2N3O5
• Molecular Weight: 641.80 g/mol
• Exact Mass: 641.36
• IUPAC Name: N-benzyl-5-formamido-3,4-dihydroxy-2-methylpentanamide;1,3-difluoro-5-methylbenzene;3,5-dimethyl-N,N-dipropylbenzamide
• SMILES: CC(C(=O)NCc1ccccc1)C(O)C(O)CNC=O.CCCN(CCC)C(=O)c1cc(C)cc(C)c1.Cc1cc(F)cc(F)c1
• InChI: InChI=1S/C15H23NO.C14H20N2O4.C7H6F2/c1-5-7-16(8-6-2)15(17)14-10-12(3)9-13(4)11-14;1-10(13(19)12(18)8-15-9-17)14(20)16-7-11-5-3-2-4-6-11;1-5-2-6(8)4-7(9)3-5/h9-11H,5-8H2,1-4H3;2-6,9-10,12-13,18-19H,7-8H2,1H3,(H,15,17)(H,16,20);2-4H,1H3
• InChIKey: CUKGMEIEYMFPKK-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 118.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.80
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-formamido-3,4-dihydroxy-2-methylpentanamide;1,3-difluoro-5-methylbenzene;3,5-dimethyl-N,N-dipropylbenzamide?

The IUPAC name of N-benzyl-5-formamido-3,4-dihydroxy-2-methylpentanamide;1,3-difluoro-5-methylbenzene;3,5-dimethyl-N,N-dipropylbenzamide (CID 142205163) is N-benzyl-5-formamido-3,4-dihydroxy-2-methylpentanamide;1,3-difluoro-5-methylbenzene;3,5-dimethyl-N,N-dipropylbenzamide.

What is the SMILES notation for N-benzyl-5-formamido-3,4-dihydroxy-2-methylpentanamide;1,3-difluoro-5-methylbenzene;3,5-dimethyl-N,N-dipropylbenzamide?

The canonical SMILES for N-benzyl-5-formamido-3,4-dihydroxy-2-methylpentanamide;1,3-difluoro-5-methylbenzene;3,5-dimethyl-N,N-dipropylbenzamide is CC(C(=O)NCc1ccccc1)C(O)C(O)CNC=O.CCCN(CCC)C(=O)c1cc(C)cc(C)c1.Cc1cc(F)cc(F)c1.

What is the InChIKey of N-benzyl-5-formamido-3,4-dihydroxy-2-methylpentanamide;1,3-difluoro-5-methylbenzene;3,5-dimethyl-N,N-dipropylbenzamide?

The InChIKey is CUKGMEIEYMFPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.C14H20N2O4.C7H6F2/c1-5-7-16(8-6-2)15(17)14-10-12(3)9-13(4)11-14;1-10(13(19)12(18)8-15-9-17)14(20)16-7-11-5-3-2-4-6-11;1-5-2-6(8)4-7(9)3-5/h9-11H,5-8H2,1-4H3;2-6,9-10,12-13,18-19H,7-8H2,1H3,(H,15,17)(H,16,20);2-4H,1H3.

What are the key properties of N-benzyl-5-formamido-3,4-dihydroxy-2-methylpentanamide;1,3-difluoro-5-methylbenzene;3,5-dimethyl-N,N-dipropylbenzamide?

N-benzyl-5-formamido-3,4-dihydroxy-2-methylpentanamide;1,3-difluoro-5-methylbenzene;3,5-dimethyl-N,N-dipropylbenzamide has a molecular weight of 641.80 g/mol, XLogP of 5.25, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-5-formamido-3,4-dihydroxy-2-methylpentanamide;1,3-difluoro-5-methylbenzene;3,5-dimethyl-N,N-dipropylbenzamide is sourced from PubChem (CID 142205163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).