N-[2-[2-[2-(tert-butylamino)ethoxy]propan-2-yloxy]ethyl]-3-(ethylamino)propanamide

C16H35N3O3 — CID 134266528

IUPACN-[2-[2-[2-(tert-butylamino)ethoxy]propan-2-yloxy]ethyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NCCOC(C)(C)OCCNC(C)(C)C
InChIInChI=1S/C16H35N3O3/c1-7-17-9-8-14(20)18-10-12-21-16(5,6)22-13-11-19-15(2,3)4/h17,19H,7-13H2,1-6H3,(H,18,20)
InChIKeyLJEKICSLMKQGIQ-UHFFFAOYSA-N
MW317.47 g/mol
LogP1.26
Rot. Bonds12

About N-[2-[2-[2-(tert-butylamino)ethoxy]propan-2-yloxy]ethyl]-3-(ethylamino)propanamide

N-[2-[2-[2-(tert-butylamino)ethoxy]propan-2-yloxy]ethyl]-3-(ethylamino)propanamide (PubChem CID 134266528) has the molecular formula C16H35N3O3 and a molecular weight of 317.47 g/mol. Its IUPAC name is N-[2-[2-[2-(tert-butylamino)ethoxy]propan-2-yloxy]ethyl]-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-[2-[2-[2-(tert-butylamino)ethoxy]propan-2-yloxy]ethyl]-3-(ethylamino)propanamide
PubChem CID134266528
Molecular FormulaC16H35N3O3
Molecular Weight317.47 g/mol
Exact Mass317.27
IUPAC NameN-[2-[2-[2-(tert-butylamino)ethoxy]propan-2-yloxy]ethyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NCCOC(C)(C)OCCNC(C)(C)C
InChIInChI=1S/C16H35N3O3/c1-7-17-9-8-14(20)18-10-12-21-16(5,6)22-13-11-19-15(2,3)4/h17,19H,7-13H2,1-6H3,(H,18,20)
InChIKeyLJEKICSLMKQGIQ-UHFFFAOYSA-N
XLogP1.26
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-(3-ethoxypropyl)-3-(ethylamino)propanamide
CID 62832106
2-[3-(tert-butylamino)propanoylamino]ethyl carbamate
CID 83209424
N-[2-(ethylamino)ethyl]-3-methoxypropanamide
CID 62658774
N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide
CID 62831395
3-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 60850956
N'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide
CID 88902416
6-[3-(ethylamino)propanoylamino]-4,4-dimethylhexanoic acid
CID 65286127
6-(tert-butylamino)-N-[2-[1-[2-[3-(tert-butylamino)propanoylamino]ethoxy]cyclohexyl]oxyethyl]hexanamide
CID 135302838
N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N'-[3-(2-methylbutan-2-yloxy)propyl]pentanediamide
CID 130272018
4-[3-(ethylamino)propanoylamino]butanoic acid
CID 62835343
N-[2-(ethylamino)ethyl]-3-(2-methoxyethoxy)propanamide
CID 119508820
N-(2-methoxyethyl)-3-(methylamino)propanamide
CID 43827811

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(tert-butylamino)ethoxy]propan-2-yloxy]ethyl]-3-(ethylamino)propanamide?
The IUPAC name of N-[2-[2-[2-(tert-butylamino)ethoxy]propan-2-yloxy]ethyl]-3-(ethylamino)propanamide (CID 134266528) is N-[2-[2-[2-(tert-butylamino)ethoxy]propan-2-yloxy]ethyl]-3-(ethylamino)propanamide.
What is the SMILES notation for N-[2-[2-[2-(tert-butylamino)ethoxy]propan-2-yloxy]ethyl]-3-(ethylamino)propanamide?
The canonical SMILES for N-[2-[2-[2-(tert-butylamino)ethoxy]propan-2-yloxy]ethyl]-3-(ethylamino)propanamide is CCNCCC(=O)NCCOC(C)(C)OCCNC(C)(C)C.
What is the InChIKey of N-[2-[2-[2-(tert-butylamino)ethoxy]propan-2-yloxy]ethyl]-3-(ethylamino)propanamide?
The InChIKey is LJEKICSLMKQGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O3/c1-7-17-9-8-14(20)18-10-12-21-16(5,6)22-13-11-19-15(2,3)4/h17,19H,7-13H2,1-6H3,(H,18,20).
What are the key properties of N-[2-[2-[2-(tert-butylamino)ethoxy]propan-2-yloxy]ethyl]-3-(ethylamino)propanamide?
N-[2-[2-[2-(tert-butylamino)ethoxy]propan-2-yloxy]ethyl]-3-(ethylamino)propanamide has a molecular weight of 317.47 g/mol, XLogP of 1.26, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(tert-butylamino)ethoxy]propan-2-yloxy]ethyl]-3-(ethylamino)propanamide is sourced from PubChem (CID 134266528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).