N-[2-ethyl-2,4-dimethyl-4-(propan-2-ylamino)pentyl]-N,2,2-trimethyl-4-[2-methyl-1-[methyl(3-methylbutanoyl)amino]propan-2-yl]oxybutanamide

C29H59N3O3 — CID 168959578

About N-[2-ethyl-2,4-dimethyl-4-(propan-2-ylamino)pentyl]-N,2,2-trimethyl-4-[2-methyl-1-[methyl(3-methylbutanoyl)amino]propan-2-yl]oxybutanamide

N-[2-ethyl-2,4-dimethyl-4-(propan-2-ylamino)pentyl]-N,2,2-trimethyl-4-[2-methyl-1-[methyl(3-methylbutanoyl)amino]propan-2-yl]oxybutanamide (PubChem CID 168959578) has the molecular formula C29H59N3O3 and a molecular weight of 497.81 g/mol. Its IUPAC name is N-[2-ethyl-2,4-dimethyl-4-(propan-2-ylamino)pentyl]-N,2,2-trimethyl-4-[2-methyl-1-[methyl(3-methylbutanoyl)amino]propan-2-yl]oxybutanamide.

Molecular Properties

• Compound Name: N-[2-ethyl-2,4-dimethyl-4-(propan-2-ylamino)pentyl]-N,2,2-trimethyl-4-[2-methyl-1-[methyl(3-methylbutanoyl)amino]propan-2-yl]oxybutanamide
• PubChem CID: 168959578
• Molecular Formula: C29H59N3O3
• Molecular Weight: 497.81 g/mol
• Exact Mass: 497.46
• IUPAC Name: N-[2-ethyl-2,4-dimethyl-4-(propan-2-ylamino)pentyl]-N,2,2-trimethyl-4-[2-methyl-1-[methyl(3-methylbutanoyl)amino]propan-2-yl]oxybutanamide
• SMILES: CCC(C)(CN(C)C(=O)C(C)(C)CCOC(C)(C)CN(C)C(=O)CC(C)C)CC(C)(C)NC(C)C
• InChI: InChI=1S/C29H59N3O3/c1-15-29(12,19-27(8,9)30-23(4)5)21-32(14)25(34)26(6,7)16-17-35-28(10,11)20-31(13)24(33)18-22(2)3/h22-23,30H,15-21H2,1-14H3
• InChIKey: VKFNKPIIITUQPN-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.81
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2,4-dimethyl-4-(propan-2-ylamino)pentyl]-N,2,2-trimethyl-4-[2-methyl-1-[methyl(3-methylbutanoyl)amino]propan-2-yl]oxybutanamide?

The IUPAC name of N-[2-ethyl-2,4-dimethyl-4-(propan-2-ylamino)pentyl]-N,2,2-trimethyl-4-[2-methyl-1-[methyl(3-methylbutanoyl)amino]propan-2-yl]oxybutanamide (CID 168959578) is N-[2-ethyl-2,4-dimethyl-4-(propan-2-ylamino)pentyl]-N,2,2-trimethyl-4-[2-methyl-1-[methyl(3-methylbutanoyl)amino]propan-2-yl]oxybutanamide.

What is the SMILES notation for N-[2-ethyl-2,4-dimethyl-4-(propan-2-ylamino)pentyl]-N,2,2-trimethyl-4-[2-methyl-1-[methyl(3-methylbutanoyl)amino]propan-2-yl]oxybutanamide?

The canonical SMILES for N-[2-ethyl-2,4-dimethyl-4-(propan-2-ylamino)pentyl]-N,2,2-trimethyl-4-[2-methyl-1-[methyl(3-methylbutanoyl)amino]propan-2-yl]oxybutanamide is CCC(C)(CN(C)C(=O)C(C)(C)CCOC(C)(C)CN(C)C(=O)CC(C)C)CC(C)(C)NC(C)C.

What is the InChIKey of N-[2-ethyl-2,4-dimethyl-4-(propan-2-ylamino)pentyl]-N,2,2-trimethyl-4-[2-methyl-1-[methyl(3-methylbutanoyl)amino]propan-2-yl]oxybutanamide?

The InChIKey is VKFNKPIIITUQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H59N3O3/c1-15-29(12,19-27(8,9)30-23(4)5)21-32(14)25(34)26(6,7)16-17-35-28(10,11)20-31(13)24(33)18-22(2)3/h22-23,30H,15-21H2,1-14H3.

What are the key properties of N-[2-ethyl-2,4-dimethyl-4-(propan-2-ylamino)pentyl]-N,2,2-trimethyl-4-[2-methyl-1-[methyl(3-methylbutanoyl)amino]propan-2-yl]oxybutanamide?

N-[2-ethyl-2,4-dimethyl-4-(propan-2-ylamino)pentyl]-N,2,2-trimethyl-4-[2-methyl-1-[methyl(3-methylbutanoyl)amino]propan-2-yl]oxybutanamide has a molecular weight of 497.81 g/mol, XLogP of 5.74, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-ethyl-2,4-dimethyl-4-(propan-2-ylamino)pentyl]-N,2,2-trimethyl-4-[2-methyl-1-[methyl(3-methylbutanoyl)amino]propan-2-yl]oxybutanamide is sourced from PubChem (CID 168959578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).