N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide

C16H24N4O4 — CID 161343746

IUPACN-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCOCCOCCOCCN=[N+]=[N-])cc1
InChIInChI=1S/C16H24N4O4/c1-14-2-4-15(5-3-14)16(21)18-6-8-22-10-12-24-13-11-23-9-7-19-20-17/h2-5H,6-13H2,1H3,(H,18,21)
InChIKeyGHCDWRZBDPVODX-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.08
Rot. Bonds13

About N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide

N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide (PubChem CID 161343746) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide
PubChem CID161343746
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC NameN-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCOCCOCCOCCN=[N+]=[N-])cc1
InChIInChI=1S/C16H24N4O4/c1-14-2-4-15(5-3-14)16(21)18-6-8-22-10-12-24-13-11-23-9-7-19-20-17/h2-5H,6-13H2,1H3,(H,18,21)
InChIKeyGHCDWRZBDPVODX-UHFFFAOYSA-N
XLogP2.08
TPSA105.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[2-(2-azidoethoxy)ethyl]benzamide
CID 156666189
2-N,7-N-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-9H-fluorene-2,7-dicarboxamide
CID 175531818
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,4-bis[(2-bromoacetyl)amino]benzamide
CID 155445623
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide
CID 14697250
N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(7,8-dimethoxy-4-oxochromen-2-yl)benzamide
CID 170116384
N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide
CID 77078486
N-(2-aminooxyethyl)-4-methylbenzamide
CID 39239063
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide
CID 166176636
4-methyl-N-[2-(2-propoxyethylamino)ethyl]benzamide
CID 106451707
4-(2-azido-2-methylpropyl)-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]benzamide
CID 167268229
(2S)-2-[[4-[4-[2-[2-(2-azidoethoxy)ethoxy]ethylcarbamoyl]anilino]-6-[2-[2-(2-benzamidoethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]propanoic acid
CID 23956823

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide (CID 161343746) is N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCOCCOCCOCCN=[N+]=[N-])cc1.
What is the InChIKey of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide?
The InChIKey is GHCDWRZBDPVODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-14-2-4-15(5-3-14)16(21)18-6-8-22-10-12-24-13-11-23-9-7-19-20-17/h2-5H,6-13H2,1H3,(H,18,21).
What are the key properties of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide?
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide has a molecular weight of 336.39 g/mol, XLogP of 2.08, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide is sourced from PubChem (CID 161343746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).