4-azido-N-(2-prop-2-ynoxyethyl)hexanamide

C11H18N4O2 — CID 91332449

IUPAC4-azido-N-(2-prop-2-ynoxyethyl)hexanamide
SMILESC#CCOCCNC(=O)CCC(CC)N=[N+]=[N-]
InChIInChI=1S/C11H18N4O2/c1-3-8-17-9-7-13-11(16)6-5-10(4-2)14-15-12/h1,10H,4-9H2,2H3,(H,13,16)
InChIKeyMPSLZRNABHKBPT-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.62
Rot. Bonds9

About 4-azido-N-(2-prop-2-ynoxyethyl)hexanamide

4-azido-N-(2-prop-2-ynoxyethyl)hexanamide (PubChem CID 91332449) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-azido-N-(2-prop-2-ynoxyethyl)hexanamide.

Molecular Properties

Compound Name4-azido-N-(2-prop-2-ynoxyethyl)hexanamide
PubChem CID91332449
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-azido-N-(2-prop-2-ynoxyethyl)hexanamide
SMILESC#CCOCCNC(=O)CCC(CC)N=[N+]=[N-]
InChIInChI=1S/C11H18N4O2/c1-3-8-17-9-7-13-11(16)6-5-10(4-2)14-15-12/h1,10H,4-9H2,2H3,(H,13,16)
InChIKeyMPSLZRNABHKBPT-UHFFFAOYSA-N
XLogP1.62
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-(2-prop-2-ynoxyethoxy)ethyl]pentanamide
CID 156733351
3-[3-[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2,2-bis[[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propoxy]-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 167313088
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 138710366
2-[2-[2-[2-[2-[2-[3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium chloride
CID 138542496
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]pent-4-ynamide
CID 176933394
tert-butyl N-[2-[3-azidopentyl(methyl)amino]ethyl]carbamate
CID 166868802
N-(2-hydroxy-3-methylbutyl)-3-prop-2-ynoxypropanamide
CID 109478558
N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]acetamide
CID 169450266
N'-[2-[2-[2-[[4-(2-hydroxyethylamino)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethyl]-N-[3-oxo-3-(prop-2-ynylamino)propyl]butanediamide
CID 166850709
4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide
CID 163400778
N-[1,3-bis[3-oxo-3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propan-2-yl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-[[1-[3-oxo-3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]-3-[3-oxo-3-[2-[2-[2-[2-[2-[2-[2-(prop-2-ynoxymethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 172639474
2-azido-N-[2-(chloromethoxy)ethyl]propanamide
CID 164821718

Frequently Asked Questions

What is the IUPAC name of 4-azido-N-(2-prop-2-ynoxyethyl)hexanamide?
The IUPAC name of 4-azido-N-(2-prop-2-ynoxyethyl)hexanamide (CID 91332449) is 4-azido-N-(2-prop-2-ynoxyethyl)hexanamide.
What is the SMILES notation for 4-azido-N-(2-prop-2-ynoxyethyl)hexanamide?
The canonical SMILES for 4-azido-N-(2-prop-2-ynoxyethyl)hexanamide is C#CCOCCNC(=O)CCC(CC)N=[N+]=[N-].
What is the InChIKey of 4-azido-N-(2-prop-2-ynoxyethyl)hexanamide?
The InChIKey is MPSLZRNABHKBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-8-17-9-7-13-11(16)6-5-10(4-2)14-15-12/h1,10H,4-9H2,2H3,(H,13,16).
What are the key properties of 4-azido-N-(2-prop-2-ynoxyethyl)hexanamide?
4-azido-N-(2-prop-2-ynoxyethyl)hexanamide has a molecular weight of 238.29 g/mol, XLogP of 1.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-(2-prop-2-ynoxyethyl)hexanamide is sourced from PubChem (CID 91332449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).