N-ethyl-2-[2-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethoxy]ethoxy]acetamide

C17H26N2O7 — CID 161317067

IUPACN-ethyl-2-[2-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethoxy]ethoxy]acetamide
SMILESCCNC(=O)COCCOCCOCCOc1ccc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C17H26N2O7/c1-3-18-17(20)13-25-9-8-23-6-7-24-10-11-26-16-5-4-14(2)12-15(16)19(21)22/h4-5,12H,3,6-11,13H2,1-2H3,(H,18,20)
InChIKeyWBASVWUFVHKMBC-UHFFFAOYSA-N
MW370.40 g/mol
LogP1.47
Rot. Bonds14

About N-ethyl-2-[2-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethoxy]ethoxy]acetamide

N-ethyl-2-[2-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethoxy]ethoxy]acetamide (PubChem CID 161317067) has the molecular formula C17H26N2O7 and a molecular weight of 370.40 g/mol. Its IUPAC name is N-ethyl-2-[2-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethoxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethoxy]ethoxy]acetamide
PubChem CID161317067
Molecular FormulaC17H26N2O7
Molecular Weight370.40 g/mol
Exact Mass370.17
IUPAC NameN-ethyl-2-[2-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethoxy]ethoxy]acetamide
SMILESCCNC(=O)COCCOCCOCCOc1ccc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C17H26N2O7/c1-3-18-17(20)13-25-9-8-23-6-7-24-10-11-26-16-5-4-14(2)12-15(16)19(21)22/h4-5,12H,3,6-11,13H2,1-2H3,(H,18,20)
InChIKeyWBASVWUFVHKMBC-UHFFFAOYSA-N
XLogP1.47
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethoxy]ethoxy]acetic acid
CID 161317064
1-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methyl-2-nitrobenzene
CID 2284208
N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965140
1-(4-bromobutoxy)-4-methyl-2-nitrobenzene
CID 61313190
4-methyl-2-nitro-1-octoxybenzene
CID 11708750
2-(4-methyl-2-nitrophenoxy)acetamide
CID 8538614
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
1-methyl-4-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethyl]piperazine-1,4-diium
CID 2582699
N-(3-ethylpent-1-yn-3-yl)-2-(4-methyl-2-nitrophenoxy)acetamide
CID 18202165
2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8562673
N-methyl-2-[2-[2-[2-[4-methyl-2-[5-methyl-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 135216825
1-[2-(2,4-dichlorophenoxy)ethoxy]-4-methyl-2-nitrobenzene
CID 57398735

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethoxy]ethoxy]acetamide?
The IUPAC name of N-ethyl-2-[2-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethoxy]ethoxy]acetamide (CID 161317067) is N-ethyl-2-[2-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethoxy]ethoxy]acetamide.
What is the SMILES notation for N-ethyl-2-[2-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethoxy]ethoxy]acetamide?
The canonical SMILES for N-ethyl-2-[2-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethoxy]ethoxy]acetamide is CCNC(=O)COCCOCCOCCOc1ccc(C)cc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-2-[2-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethoxy]ethoxy]acetamide?
The InChIKey is WBASVWUFVHKMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O7/c1-3-18-17(20)13-25-9-8-23-6-7-24-10-11-26-16-5-4-14(2)12-15(16)19(21)22/h4-5,12H,3,6-11,13H2,1-2H3,(H,18,20).
What are the key properties of N-ethyl-2-[2-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethoxy]ethoxy]acetamide?
N-ethyl-2-[2-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethoxy]ethoxy]acetamide has a molecular weight of 370.40 g/mol, XLogP of 1.47, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethoxy]ethoxy]acetamide is sourced from PubChem (CID 161317067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).