N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide

C22H35N7O4 — CID 146673229

IUPACN-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide
SMILESCNN(C)Cc1cc2ccccc2n1CCC(=O)NCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C22H35N7O4/c1-24-28(2)18-20-17-19-5-3-4-6-21(19)29(20)10-7-22(30)25-8-11-31-13-15-33-16-14-32-12-9-26-27-23/h3-6,17,24H,7-16,18H2,1-2H3,(H,25,30)
InChIKeyOSIXECKPIWNSBQ-UHFFFAOYSA-N
MW461.57 g/mol
LogP2.07
Rot. Bonds18

About N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide

N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide (PubChem CID 146673229) has the molecular formula C22H35N7O4 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide
PubChem CID146673229
Molecular FormulaC22H35N7O4
Molecular Weight461.57 g/mol
Exact Mass461.28
IUPAC NameN-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide
SMILESCNN(C)Cc1cc2ccccc2n1CCC(=O)NCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C22H35N7O4/c1-24-28(2)18-20-17-19-5-3-4-6-21(19)29(20)10-7-22(30)25-8-11-31-13-15-33-16-14-32-12-9-26-27-23/h3-6,17,24H,7-16,18H2,1-2H3,(H,25,30)
InChIKeyOSIXECKPIWNSBQ-UHFFFAOYSA-N
XLogP2.07
TPSA125.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide
CID 146535745
(4S)-5-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-4-[3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanoylamino]-5-oxopentanoic acid
CID 118121238
(4S)-4-[3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanoylamino]-5-oxo-5-[2-[2-[2-(pentacosanoylamino)ethoxy]ethoxy]ethylamino]pentanoic acid
CID 155184065
N-(5-formamidopentyl)-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide
CID 118109462
CID 174007402
CID 174007402
4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]butan-2-one
CID 177057739
3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanoic acid
CID 86718979
4-[3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanoylamino]-5-[2-[2-[3-[methyl(1-oxopropan-2-yl)amino]-3-oxopropoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 175745631
3-[2-[2-[[1-[3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanoyl]piperidin-4-yl]amino]ethoxy]ethoxy]propanoic acid
CID 138744679
(2S)-N'-[(2S,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanoylamino]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]butanediamide;methane
CID 159120542
3-[2-[2-[3-[(1-ethoxy-1-oxopropan-2-yl)-methylamino]-3-oxopropoxy]ethoxy]ethylamino]-2-[3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanoylamino]-3-oxopropane-1-sulfonic acid
CID 175745649
methanamine;3-[2-[2-[[2-[3-[2-(methylaminomethyl)indol-1-yl]propanoylamino]acetyl]amino]ethoxy]ethoxy]propanoic acid;propanoic acid
CID 144853507

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide?
The IUPAC name of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide (CID 146673229) is N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide.
What is the SMILES notation for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide?
The canonical SMILES for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide is CNN(C)Cc1cc2ccccc2n1CCC(=O)NCCOCCOCCOCCN=[N+]=[N-].
What is the InChIKey of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide?
The InChIKey is OSIXECKPIWNSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N7O4/c1-24-28(2)18-20-17-19-5-3-4-6-21(19)29(20)10-7-22(30)25-8-11-31-13-15-33-16-14-32-12-9-26-27-23/h3-6,17,24H,7-16,18H2,1-2H3,(H,25,30).
What are the key properties of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide?
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide has a molecular weight of 461.57 g/mol, XLogP of 2.07, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide is sourced from PubChem (CID 146673229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).