3-[2-[[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]-propan-2-ylamino]ethyl-propan-2-ylamino]-N-(2,2,4-trimethylpentyl)propanamide

C31H64N4O2 — CID 89061392

IUPAC3-[2-[[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]-propan-2-ylamino]ethyl-propan-2-ylamino]-N-(2,2,4-trimethylpentyl)propanamide
SMILESCC(C)CC(C)(C)CNC(=O)CCN(CCN(CCC(=O)NCC(C)(C)CC(C)(C)C)C(C)C)C(C)C
InChIInChI=1S/C31H64N4O2/c1-24(2)20-30(10,11)22-32-27(36)14-16-34(25(3)4)18-19-35(26(5)6)17-15-28(37)33-23-31(12,13)21-29(7,8)9/h24-26H,14-23H2,1-13H3,(H,32,36)(H,33,37)
InChIKeyRVZVRQFOUCPXMU-UHFFFAOYSA-N
MW524.88 g/mol
LogP5.95
Rot. Bonds18

About 3-[2-[[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]-propan-2-ylamino]ethyl-propan-2-ylamino]-N-(2,2,4-trimethylpentyl)propanamide

3-[2-[[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]-propan-2-ylamino]ethyl-propan-2-ylamino]-N-(2,2,4-trimethylpentyl)propanamide (PubChem CID 89061392) has the molecular formula C31H64N4O2 and a molecular weight of 524.88 g/mol. Its IUPAC name is 3-[2-[[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]-propan-2-ylamino]ethyl-propan-2-ylamino]-N-(2,2,4-trimethylpentyl)propanamide.

Molecular Properties

Compound Name3-[2-[[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]-propan-2-ylamino]ethyl-propan-2-ylamino]-N-(2,2,4-trimethylpentyl)propanamide
PubChem CID89061392
Molecular FormulaC31H64N4O2
Molecular Weight524.88 g/mol
Exact Mass524.50
IUPAC Name3-[2-[[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]-propan-2-ylamino]ethyl-propan-2-ylamino]-N-(2,2,4-trimethylpentyl)propanamide
SMILESCC(C)CC(C)(C)CNC(=O)CCN(CCN(CCC(=O)NCC(C)(C)CC(C)(C)C)C(C)C)C(C)C
InChIInChI=1S/C31H64N4O2/c1-24(2)20-30(10,11)22-32-27(36)14-16-34(25(3)4)18-19-35(26(5)6)17-15-28(37)33-23-31(12,13)21-29(7,8)9/h24-26H,14-23H2,1-13H3,(H,32,36)(H,33,37)
InChIKeyRVZVRQFOUCPXMU-UHFFFAOYSA-N
XLogP5.95
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.88
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-[[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]-propan-2-ylamino]ethyl-propan-2-ylamino]-N-(2,2,4-trimethylpentyl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]-propan-2-ylamino]ethyl-propan-2-ylamino]-N-(2,2,4-trimethylpentyl)propanamide?
The IUPAC name of 3-[2-[[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]-propan-2-ylamino]ethyl-propan-2-ylamino]-N-(2,2,4-trimethylpentyl)propanamide (CID 89061392) is 3-[2-[[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]-propan-2-ylamino]ethyl-propan-2-ylamino]-N-(2,2,4-trimethylpentyl)propanamide.
What is the SMILES notation for 3-[2-[[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]-propan-2-ylamino]ethyl-propan-2-ylamino]-N-(2,2,4-trimethylpentyl)propanamide?
The canonical SMILES for 3-[2-[[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]-propan-2-ylamino]ethyl-propan-2-ylamino]-N-(2,2,4-trimethylpentyl)propanamide is CC(C)CC(C)(C)CNC(=O)CCN(CCN(CCC(=O)NCC(C)(C)CC(C)(C)C)C(C)C)C(C)C.
What is the InChIKey of 3-[2-[[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]-propan-2-ylamino]ethyl-propan-2-ylamino]-N-(2,2,4-trimethylpentyl)propanamide?
The InChIKey is RVZVRQFOUCPXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H64N4O2/c1-24(2)20-30(10,11)22-32-27(36)14-16-34(25(3)4)18-19-35(26(5)6)17-15-28(37)33-23-31(12,13)21-29(7,8)9/h24-26H,14-23H2,1-13H3,(H,32,36)(H,33,37).
What are the key properties of 3-[2-[[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]-propan-2-ylamino]ethyl-propan-2-ylamino]-N-(2,2,4-trimethylpentyl)propanamide?
3-[2-[[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]-propan-2-ylamino]ethyl-propan-2-ylamino]-N-(2,2,4-trimethylpentyl)propanamide has a molecular weight of 524.88 g/mol, XLogP of 5.95, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]-propan-2-ylamino]ethyl-propan-2-ylamino]-N-(2,2,4-trimethylpentyl)propanamide is sourced from PubChem (CID 89061392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).