[1-[[1-[[1-(cyclopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-4-methyl-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid

C30H40N4O6 — CID 138470533

About [1-[[1-[[1-(cyclopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-4-methyl-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid

[1-[[1-[[1-(cyclopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-4-methyl-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid (PubChem CID 138470533) has the molecular formula C30H40N4O6 and a molecular weight of 552.67 g/mol. Its IUPAC name is [1-[[1-[[1-(cyclopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-4-methyl-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [1-[[1-[[1-(cyclopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-4-methyl-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid
• PubChem CID: 138470533
• Molecular Formula: C30H40N4O6
• Molecular Weight: 552.67 g/mol
• Exact Mass: 552.29
• IUPAC Name: [1-[[1-[[1-(cyclopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-4-methyl-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid
• SMILES: CCC(C)C(NC(=O)C(CC(C)C)NC(=O)O)C(=O)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC1CC1
• InChI: InChI=1S/C30H40N4O6/c1-5-18(4)25(34-28(37)23(14-17(2)3)33-30(39)40)26(35)29(38)32-24(27(36)31-22-12-13-22)16-19-10-11-20-8-6-7-9-21(20)15-19/h6-11,15,17-18,22-25,33H,5,12-14,16H2,1-4H3,(H,31,36)(H,32,38)(H,34,37)(H,39,40)
• InChIKey: DJBQSWUTQQJVOT-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 153.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.67
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[[1-(cyclopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-4-methyl-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid?

The IUPAC name of [1-[[1-[[1-(cyclopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-4-methyl-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid (CID 138470533) is [1-[[1-[[1-(cyclopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-4-methyl-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid.

What is the SMILES notation for [1-[[1-[[1-(cyclopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-4-methyl-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid?

The canonical SMILES for [1-[[1-[[1-(cyclopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-4-methyl-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid is CCC(C)C(NC(=O)C(CC(C)C)NC(=O)O)C(=O)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC1CC1.

What is the InChIKey of [1-[[1-[[1-(cyclopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-4-methyl-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid?

The InChIKey is DJBQSWUTQQJVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O6/c1-5-18(4)25(34-28(37)23(14-17(2)3)33-30(39)40)26(35)29(38)32-24(27(36)31-22-12-13-22)16-19-10-11-20-8-6-7-9-21(20)15-19/h6-11,15,17-18,22-25,33H,5,12-14,16H2,1-4H3,(H,31,36)(H,32,38)(H,34,37)(H,39,40).

What are the key properties of [1-[[1-[[1-(cyclopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-4-methyl-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid?

[1-[[1-[[1-(cyclopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-4-methyl-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid has a molecular weight of 552.67 g/mol, XLogP of 2.93, 14 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[1-[[1-(cyclopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-4-methyl-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid is sourced from PubChem (CID 138470533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).