6-(tert-butylamino)-N-[2-[1-[2-[3-(tert-butylamino)propanoylamino]ethoxy]cyclohexyl]oxyethyl]hexanamide

C27H54N4O4 — CID 135302838

IUPAC6-(tert-butylamino)-N-[2-[1-[2-[3-(tert-butylamino)propanoylamino]ethoxy]cyclohexyl]oxyethyl]hexanamide
SMILESCC(C)(C)NCCCCCC(=O)NCCOC1(OCCNC(=O)CCNC(C)(C)C)CCCCC1
InChIInChI=1S/C27H54N4O4/c1-25(2,3)30-17-12-7-9-13-23(32)28-19-21-34-27(15-10-8-11-16-27)35-22-20-29-24(33)14-18-31-26(4,5)6/h30-31H,7-22H2,1-6H3,(H,28,32)(H,29,33)
InChIKeySGJVVPLVZOPLIN-UHFFFAOYSA-N
MW498.75 g/mol
LogP3.64
Rot. Bonds17

About 6-(tert-butylamino)-N-[2-[1-[2-[3-(tert-butylamino)propanoylamino]ethoxy]cyclohexyl]oxyethyl]hexanamide

6-(tert-butylamino)-N-[2-[1-[2-[3-(tert-butylamino)propanoylamino]ethoxy]cyclohexyl]oxyethyl]hexanamide (PubChem CID 135302838) has the molecular formula C27H54N4O4 and a molecular weight of 498.75 g/mol. Its IUPAC name is 6-(tert-butylamino)-N-[2-[1-[2-[3-(tert-butylamino)propanoylamino]ethoxy]cyclohexyl]oxyethyl]hexanamide.

Molecular Properties

Compound Name6-(tert-butylamino)-N-[2-[1-[2-[3-(tert-butylamino)propanoylamino]ethoxy]cyclohexyl]oxyethyl]hexanamide
PubChem CID135302838
Molecular FormulaC27H54N4O4
Molecular Weight498.75 g/mol
Exact Mass498.41
IUPAC Name6-(tert-butylamino)-N-[2-[1-[2-[3-(tert-butylamino)propanoylamino]ethoxy]cyclohexyl]oxyethyl]hexanamide
SMILESCC(C)(C)NCCCCCC(=O)NCCOC1(OCCNC(=O)CCNC(C)(C)C)CCCCC1
InChIInChI=1S/C27H54N4O4/c1-25(2,3)30-17-12-7-9-13-23(32)28-19-21-34-27(15-10-8-11-16-27)35-22-20-29-24(33)14-18-31-26(4,5)6/h30-31H,7-22H2,1-6H3,(H,28,32)(H,29,33)
InChIKeySGJVVPLVZOPLIN-UHFFFAOYSA-N
XLogP3.64
TPSA100.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.75
LogP ≤ 53.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(tert-butylamino)propanoylamino]ethyl carbamate
CID 83209424
3-(tert-butylamino)-N-(11,11-dimethyl-8-oxododecyl)propanamide
CID 164953894
N-[2-[2-[2-(tert-butylamino)ethoxy]propan-2-yloxy]ethyl]-3-(ethylamino)propanamide
CID 134266528
3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide
CID 60851294
N-[3-(tert-butylamino)propyl]-8,8-dimethyl-6-oxononanamide
CID 130398409
N'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide
CID 88902416
3-(tert-butylamino)-N-(4-methylpentyl)propanamide
CID 61044511
14-(tert-butylamino)-2,2-dimethyltetradecan-3-one
CID 58895700
8-(tert-butylamino)-2,2-dimethyloctan-3-one
CID 58895617
3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
CID 104761520
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
3-(tert-butylamino)-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 54917416

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-N-[2-[1-[2-[3-(tert-butylamino)propanoylamino]ethoxy]cyclohexyl]oxyethyl]hexanamide?
The IUPAC name of 6-(tert-butylamino)-N-[2-[1-[2-[3-(tert-butylamino)propanoylamino]ethoxy]cyclohexyl]oxyethyl]hexanamide (CID 135302838) is 6-(tert-butylamino)-N-[2-[1-[2-[3-(tert-butylamino)propanoylamino]ethoxy]cyclohexyl]oxyethyl]hexanamide.
What is the SMILES notation for 6-(tert-butylamino)-N-[2-[1-[2-[3-(tert-butylamino)propanoylamino]ethoxy]cyclohexyl]oxyethyl]hexanamide?
The canonical SMILES for 6-(tert-butylamino)-N-[2-[1-[2-[3-(tert-butylamino)propanoylamino]ethoxy]cyclohexyl]oxyethyl]hexanamide is CC(C)(C)NCCCCCC(=O)NCCOC1(OCCNC(=O)CCNC(C)(C)C)CCCCC1.
What is the InChIKey of 6-(tert-butylamino)-N-[2-[1-[2-[3-(tert-butylamino)propanoylamino]ethoxy]cyclohexyl]oxyethyl]hexanamide?
The InChIKey is SGJVVPLVZOPLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N4O4/c1-25(2,3)30-17-12-7-9-13-23(32)28-19-21-34-27(15-10-8-11-16-27)35-22-20-29-24(33)14-18-31-26(4,5)6/h30-31H,7-22H2,1-6H3,(H,28,32)(H,29,33).
What are the key properties of 6-(tert-butylamino)-N-[2-[1-[2-[3-(tert-butylamino)propanoylamino]ethoxy]cyclohexyl]oxyethyl]hexanamide?
6-(tert-butylamino)-N-[2-[1-[2-[3-(tert-butylamino)propanoylamino]ethoxy]cyclohexyl]oxyethyl]hexanamide has a molecular weight of 498.75 g/mol, XLogP of 3.64, 17 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-N-[2-[1-[2-[3-(tert-butylamino)propanoylamino]ethoxy]cyclohexyl]oxyethyl]hexanamide is sourced from PubChem (CID 135302838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).