N-[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide

C24H46N6O7 — CID 59939815

About N-[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide

N-[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide (PubChem CID 59939815) has the molecular formula C24H46N6O7 and a molecular weight of 530.67 g/mol. Its IUPAC name is N-[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide.

Molecular Properties

• Compound Name: N-[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide
• PubChem CID: 59939815
• Molecular Formula: C24H46N6O7
• Molecular Weight: 530.67 g/mol
• Exact Mass: 530.34
• IUPAC Name: N-[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide
• SMILES: COC(OC)C(C)NC(=O)C(C)N(C)C(=O)C(C)NC(=O)C(C)N(C)C(=O)C(C)NC(=O)C(C)N(C)C
• InChI: InChI=1S/C24H46N6O7/c1-13(25-19(31)16(4)28(7)8)22(34)29(9)17(5)20(32)26-14(2)23(35)30(10)18(6)21(33)27-15(3)24(36-11)37-12/h13-18,24H,1-12H3,(H,25,31)(H,26,32)(H,27,33)
• InChIKey: JVSOETGSQPWLIZ-UHFFFAOYSA-N
• XLogP: -1.24
• TPSA: 149.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.67
LogP ≤ 5	-1.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide?

The IUPAC name of N-[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide (CID 59939815) is N-[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide.

What is the SMILES notation for N-[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide?

The canonical SMILES for N-[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide is COC(OC)C(C)NC(=O)C(C)N(C)C(=O)C(C)NC(=O)C(C)N(C)C(=O)C(C)NC(=O)C(C)N(C)C.

What is the InChIKey of N-[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide?

The InChIKey is JVSOETGSQPWLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N6O7/c1-13(25-19(31)16(4)28(7)8)22(34)29(9)17(5)20(32)26-14(2)23(35)30(10)18(6)21(33)27-15(3)24(36-11)37-12/h13-18,24H,1-12H3,(H,25,31)(H,26,32)(H,27,33).

What are the key properties of N-[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide?

N-[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide has a molecular weight of 530.67 g/mol, XLogP of -1.24, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide is sourced from PubChem (CID 59939815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).