N-[1-[[1-[[1-(benzylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]naphthalene-1-carboxamide

C33H40N4O5 — CID 77473459

About N-[1-[[1-[[1-(benzylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]naphthalene-1-carboxamide

N-[1-[[1-[[1-(benzylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]naphthalene-1-carboxamide (PubChem CID 77473459) has the molecular formula C33H40N4O5 and a molecular weight of 572.71 g/mol. Its IUPAC name is N-[1-[[1-[[1-(benzylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[1-[[1-(benzylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]naphthalene-1-carboxamide
• PubChem CID: 77473459
• Molecular Formula: C33H40N4O5
• Molecular Weight: 572.71 g/mol
• Exact Mass: 572.30
• IUPAC Name: N-[1-[[1-[[1-(benzylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]naphthalene-1-carboxamide
• SMILES: CC(NC(=O)C(NC(=O)c1cccc2ccccc12)C(C)(C)C)C(=O)NC(C(=O)C(=O)NCc1ccccc1)C(C)C
• InChI: InChI=1S/C33H40N4O5/c1-20(2)26(27(38)31(41)34-19-22-13-8-7-9-14-22)36-29(39)21(3)35-32(42)28(33(4,5)6)37-30(40)25-18-12-16-23-15-10-11-17-24(23)25/h7-18,20-21,26,28H,19H2,1-6H3,(H,34,41)(H,35,42)(H,36,39)(H,37,40)
• InChIKey: FAWIQYIRBWLILD-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 133.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.71
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	4
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 N-[1-[[1-[[1-(benzylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]naphthalene-1-carboxamide?

The IUPAC name of N-[1-[[1-[[1-(benzylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]naphthalene-1-carboxamide (CID 77473459) is N-[1-[[1-[[1-(benzylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]naphthalene-1-carboxamide.

What is the SMILES notation for N-[1-[[1-[[1-(benzylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]naphthalene-1-carboxamide?

The canonical SMILES for N-[1-[[1-[[1-(benzylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]naphthalene-1-carboxamide is CC(NC(=O)C(NC(=O)c1cccc2ccccc12)C(C)(C)C)C(=O)NC(C(=O)C(=O)NCc1ccccc1)C(C)C.

What is the InChIKey of N-[1-[[1-[[1-(benzylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]naphthalene-1-carboxamide?

The InChIKey is FAWIQYIRBWLILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O5/c1-20(2)26(27(38)31(41)34-19-22-13-8-7-9-14-22)36-29(39)21(3)35-32(42)28(33(4,5)6)37-30(40)25-18-12-16-23-15-10-11-17-24(23)25/h7-18,20-21,26,28H,19H2,1-6H3,(H,34,41)(H,35,42)(H,36,39)(H,37,40).

What are the key properties of N-[1-[[1-[[1-(benzylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]naphthalene-1-carboxamide?

N-[1-[[1-[[1-(benzylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]naphthalene-1-carboxamide has a molecular weight of 572.71 g/mol, XLogP of 3.52, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[1-[[1-(benzylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 77473459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).