N-[2-[4-[2-(3,3-dimethyl-4-oxopentoxy)propan-2-ylamino]-2,2-dimethyl-4-oxobutoxy]propan-2-yl]-3,3-dimethyl-5-[2-(methylamino)propan-2-yloxy]pentanamide

C30H59N3O6 — CID 163370005

IUPACN-[2-[4-[2-(3,3-dimethyl-4-oxopentoxy)propan-2-ylamino]-2,2-dimethyl-4-oxobutoxy]propan-2-yl]-3,3-dimethyl-5-[2-(methylamino)propan-2-yloxy]pentanamide
SMILESCNC(C)(C)OCCC(C)(C)CC(=O)NC(C)(C)OCC(C)(C)CC(=O)NC(C)(C)OCCC(C)(C)C(C)=O
InChIInChI=1S/C30H59N3O6/c1-22(34)27(6,7)16-18-38-29(10,11)32-24(36)20-26(4,5)21-39-30(12,13)33-23(35)19-25(2,3)15-17-37-28(8,9)31-14/h31H,15-21H2,1-14H3,(H,32,36)(H,33,35)
InChIKeyRYXQVWQROISQFD-UHFFFAOYSA-N
MW557.82 g/mol
LogP4.92
Rot. Bonds19

About N-[2-[4-[2-(3,3-dimethyl-4-oxopentoxy)propan-2-ylamino]-2,2-dimethyl-4-oxobutoxy]propan-2-yl]-3,3-dimethyl-5-[2-(methylamino)propan-2-yloxy]pentanamide

N-[2-[4-[2-(3,3-dimethyl-4-oxopentoxy)propan-2-ylamino]-2,2-dimethyl-4-oxobutoxy]propan-2-yl]-3,3-dimethyl-5-[2-(methylamino)propan-2-yloxy]pentanamide (PubChem CID 163370005) has the molecular formula C30H59N3O6 and a molecular weight of 557.82 g/mol. Its IUPAC name is N-[2-[4-[2-(3,3-dimethyl-4-oxopentoxy)propan-2-ylamino]-2,2-dimethyl-4-oxobutoxy]propan-2-yl]-3,3-dimethyl-5-[2-(methylamino)propan-2-yloxy]pentanamide.

Molecular Properties

Compound NameN-[2-[4-[2-(3,3-dimethyl-4-oxopentoxy)propan-2-ylamino]-2,2-dimethyl-4-oxobutoxy]propan-2-yl]-3,3-dimethyl-5-[2-(methylamino)propan-2-yloxy]pentanamide
PubChem CID163370005
Molecular FormulaC30H59N3O6
Molecular Weight557.82 g/mol
Exact Mass557.44
IUPAC NameN-[2-[4-[2-(3,3-dimethyl-4-oxopentoxy)propan-2-ylamino]-2,2-dimethyl-4-oxobutoxy]propan-2-yl]-3,3-dimethyl-5-[2-(methylamino)propan-2-yloxy]pentanamide
SMILESCNC(C)(C)OCCC(C)(C)CC(=O)NC(C)(C)OCC(C)(C)CC(=O)NC(C)(C)OCCC(C)(C)C(C)=O
InChIInChI=1S/C30H59N3O6/c1-22(34)27(6,7)16-18-38-29(10,11)32-24(36)20-26(4,5)21-39-30(12,13)33-23(35)19-25(2,3)15-17-37-28(8,9)31-14/h31H,15-21H2,1-14H3,(H,32,36)(H,33,35)
InChIKeyRYXQVWQROISQFD-UHFFFAOYSA-N
XLogP4.92
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.82
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-[4-[2-(3,3-dimethyl-4-oxopentoxy)propan-2-ylamino]-2,2-dimethyl-4-oxobutoxy]propan-2-yl]-3,3-dimethyl-5-[2-(methylamino)propan-2-yloxy]pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(3,3-dimethyl-4-oxopentoxy)propan-2-ylamino]-2,2-dimethyl-4-oxobutoxy]propan-2-yl]-3,3-dimethyl-5-[2-(methylamino)propan-2-yloxy]pentanamide?
The IUPAC name of N-[2-[4-[2-(3,3-dimethyl-4-oxopentoxy)propan-2-ylamino]-2,2-dimethyl-4-oxobutoxy]propan-2-yl]-3,3-dimethyl-5-[2-(methylamino)propan-2-yloxy]pentanamide (CID 163370005) is N-[2-[4-[2-(3,3-dimethyl-4-oxopentoxy)propan-2-ylamino]-2,2-dimethyl-4-oxobutoxy]propan-2-yl]-3,3-dimethyl-5-[2-(methylamino)propan-2-yloxy]pentanamide.
What is the SMILES notation for N-[2-[4-[2-(3,3-dimethyl-4-oxopentoxy)propan-2-ylamino]-2,2-dimethyl-4-oxobutoxy]propan-2-yl]-3,3-dimethyl-5-[2-(methylamino)propan-2-yloxy]pentanamide?
The canonical SMILES for N-[2-[4-[2-(3,3-dimethyl-4-oxopentoxy)propan-2-ylamino]-2,2-dimethyl-4-oxobutoxy]propan-2-yl]-3,3-dimethyl-5-[2-(methylamino)propan-2-yloxy]pentanamide is CNC(C)(C)OCCC(C)(C)CC(=O)NC(C)(C)OCC(C)(C)CC(=O)NC(C)(C)OCCC(C)(C)C(C)=O.
What is the InChIKey of N-[2-[4-[2-(3,3-dimethyl-4-oxopentoxy)propan-2-ylamino]-2,2-dimethyl-4-oxobutoxy]propan-2-yl]-3,3-dimethyl-5-[2-(methylamino)propan-2-yloxy]pentanamide?
The InChIKey is RYXQVWQROISQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H59N3O6/c1-22(34)27(6,7)16-18-38-29(10,11)32-24(36)20-26(4,5)21-39-30(12,13)33-23(35)19-25(2,3)15-17-37-28(8,9)31-14/h31H,15-21H2,1-14H3,(H,32,36)(H,33,35).
What are the key properties of N-[2-[4-[2-(3,3-dimethyl-4-oxopentoxy)propan-2-ylamino]-2,2-dimethyl-4-oxobutoxy]propan-2-yl]-3,3-dimethyl-5-[2-(methylamino)propan-2-yloxy]pentanamide?
N-[2-[4-[2-(3,3-dimethyl-4-oxopentoxy)propan-2-ylamino]-2,2-dimethyl-4-oxobutoxy]propan-2-yl]-3,3-dimethyl-5-[2-(methylamino)propan-2-yloxy]pentanamide has a molecular weight of 557.82 g/mol, XLogP of 4.92, 19 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(3,3-dimethyl-4-oxopentoxy)propan-2-ylamino]-2,2-dimethyl-4-oxobutoxy]propan-2-yl]-3,3-dimethyl-5-[2-(methylamino)propan-2-yloxy]pentanamide is sourced from PubChem (CID 163370005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).