carbon dioxide;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,4-dinitrophenyl)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(1H-indol-5-yloxy)benzamide

C43H56N4O17 — CID 159633844

IUPACcarbon dioxide;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,4-dinitrophenyl)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(1H-indol-5-yloxy)benzamide
SMILESO=C(NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Oc2ccc3[nH]ccc3c2)cc1.O=C=O
InChIInChI=1S/C42H56N4O15.CO2/c47-42(35-4-7-38(8-5-35)61-39-9-10-40-36(32-39)11-12-43-40)44-13-15-53-17-19-55-21-23-57-25-27-59-29-31-60-30-28-58-26-24-56-22-20-54-18-16-52-14-1-2-34-3-6-37(45(48)49)33-41(34)46(50)51;2-1-3/h3-12,32-33,43H,1-2,13-31H2,(H,44,47);
InChIKeyMPMDXHRYMMXZKR-UHFFFAOYSA-N
MW900.93 g/mol
LogP4.71
Rot. Bonds36

About carbon dioxide;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,4-dinitrophenyl)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(1H-indol-5-yloxy)benzamide

carbon dioxide;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,4-dinitrophenyl)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(1H-indol-5-yloxy)benzamide (PubChem CID 159633844) has the molecular formula C43H56N4O17 and a molecular weight of 900.93 g/mol. Its IUPAC name is carbon dioxide;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,4-dinitrophenyl)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(1H-indol-5-yloxy)benzamide.

Molecular Properties

Compound Namecarbon dioxide;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,4-dinitrophenyl)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(1H-indol-5-yloxy)benzamide
PubChem CID159633844
Molecular FormulaC43H56N4O17
Molecular Weight900.93 g/mol
Exact Mass900.36
IUPAC Namecarbon dioxide;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,4-dinitrophenyl)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(1H-indol-5-yloxy)benzamide
SMILESO=C(NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Oc2ccc3[nH]ccc3c2)cc1.O=C=O
InChIInChI=1S/C42H56N4O15.CO2/c47-42(35-4-7-38(8-5-35)61-39-9-10-40-36(32-39)11-12-43-40)44-13-15-53-17-19-55-21-23-57-25-27-59-29-31-60-30-28-58-26-24-56-22-20-54-18-16-52-14-1-2-34-3-6-37(45(48)49)33-41(34)46(50)51;2-1-3/h3-12,32-33,43H,1-2,13-31H2,(H,44,47);
InChIKeyMPMDXHRYMMXZKR-UHFFFAOYSA-N
XLogP4.71
TPSA257.61 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds36
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.93
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

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'}

Analyze carbon dioxide;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,4-dinitrophenyl)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(1H-indol-5-yloxy)benzamide with MolForge

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Related Compounds

N-(3-butoxypropyl)-1H-indole-5-carboxamide
CID 115618115
1-[4-[4-(2,4-dinitrophenyl)butoxy]butyl]-2,4-dinitrobenzene
CID 140975215
N-[2-(2-bromoethoxy)ethyl]-4-nitrobenzamide
CID 114309382
4-(1H-indol-5-yloxy)benzoic acid
CID 129206286
N-[3-(2-chloroethoxy)propyl]-4-nitrobenzamide
CID 114171314
N-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide
CID 63718064
N-(2-butoxyethyl)-3-chloro-4-nitrobenzamide
CID 82780869
N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
CID 63749863
2-(4-bromo-2-nitrophenyl)-1-[4-(4-bromophenoxy)phenyl]ethanone
CID 13238537
methyl 4-[3-[(4-nitrobenzoyl)amino]propoxy]benzoate
CID 142721853
(E)-4-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,4-dinitrophenyl)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-fluorophenyl]but-3-en-2-one
CID 158637650
4-amino-N-(3-butoxypropyl)-3-nitrobenzamide
CID 27682777

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,4-dinitrophenyl)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(1H-indol-5-yloxy)benzamide?
The IUPAC name of carbon dioxide;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,4-dinitrophenyl)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(1H-indol-5-yloxy)benzamide (CID 159633844) is carbon dioxide;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,4-dinitrophenyl)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(1H-indol-5-yloxy)benzamide.
What is the SMILES notation for carbon dioxide;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,4-dinitrophenyl)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(1H-indol-5-yloxy)benzamide?
The canonical SMILES for carbon dioxide;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,4-dinitrophenyl)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(1H-indol-5-yloxy)benzamide is O=C(NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Oc2ccc3[nH]ccc3c2)cc1.O=C=O.
What is the InChIKey of carbon dioxide;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,4-dinitrophenyl)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(1H-indol-5-yloxy)benzamide?
The InChIKey is MPMDXHRYMMXZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H56N4O15.CO2/c47-42(35-4-7-38(8-5-35)61-39-9-10-40-36(32-39)11-12-43-40)44-13-15-53-17-19-55-21-23-57-25-27-59-29-31-60-30-28-58-26-24-56-22-20-54-18-16-52-14-1-2-34-3-6-37(45(48)49)33-41(34)46(50)51;2-1-3/h3-12,32-33,43H,1-2,13-31H2,(H,44,47);.
What are the key properties of carbon dioxide;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,4-dinitrophenyl)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(1H-indol-5-yloxy)benzamide?
carbon dioxide;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,4-dinitrophenyl)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(1H-indol-5-yloxy)benzamide has a molecular weight of 900.93 g/mol, XLogP of 4.71, 36 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,4-dinitrophenyl)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(1H-indol-5-yloxy)benzamide is sourced from PubChem (CID 159633844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).