N-[2-[3-[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]phenyl]propyl-methylamino]ethyl]-1H-indole-2-carboxamide

C27H36N4O3 — CID 87982328

IUPACN-[2-[3-[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]phenyl]propyl-methylamino]ethyl]-1H-indole-2-carboxamide
SMILESCN(CCCc1ccc(CN(C=O)OC(C)(C)C)cc1)CCNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C27H36N4O3/c1-27(2,3)34-31(20-32)19-22-13-11-21(12-14-22)8-7-16-30(4)17-15-28-26(33)25-18-23-9-5-6-10-24(23)29-25/h5-6,9-14,18,20,29H,7-8,15-17,19H2,1-4H3,(H,28,33)
InChIKeyJGQFQNNLIAWRSR-UHFFFAOYSA-N
MW464.61 g/mol
LogP4.15
Rot. Bonds12

About N-[2-[3-[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]phenyl]propyl-methylamino]ethyl]-1H-indole-2-carboxamide

N-[2-[3-[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]phenyl]propyl-methylamino]ethyl]-1H-indole-2-carboxamide (PubChem CID 87982328) has the molecular formula C27H36N4O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-[2-[3-[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]phenyl]propyl-methylamino]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]phenyl]propyl-methylamino]ethyl]-1H-indole-2-carboxamide
PubChem CID87982328
Molecular FormulaC27H36N4O3
Molecular Weight464.61 g/mol
Exact Mass464.28
IUPAC NameN-[2-[3-[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]phenyl]propyl-methylamino]ethyl]-1H-indole-2-carboxamide
SMILESCN(CCCc1ccc(CN(C=O)OC(C)(C)C)cc1)CCNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C27H36N4O3/c1-27(2,3)34-31(20-32)19-22-13-11-21(12-14-22)8-7-16-30(4)17-15-28-26(33)25-18-23-9-5-6-10-24(23)29-25/h5-6,9-14,18,20,29H,7-8,15-17,19H2,1-4H3,(H,28,33)
InChIKeyJGQFQNNLIAWRSR-UHFFFAOYSA-N
XLogP4.15
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[3-[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]phenyl]propyl-methylamino]ethyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[[4-[3-[methyl-[2-(methylamino)ethyl]amino]propyl]phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 87982052
3-chloro-N-[2-[3-[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]phenyl]propyl-methylamino]ethyl]-1-benzothiophene-2-carboxamide
CID 87983139
N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]-5-methyl-1H-indole-2-carboxamide
CID 10271027
N-[[2-fluoro-4-[3-[methyl-[2-(naphthalen-2-ylsulfonylamino)ethyl]amino]propyl]phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 87982778
N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide
CID 115599717
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
N-[2-(dimethylsulfamoyl)ethyl]-1H-indole-2-carboxamide
CID 106340710
N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700
methyl 6-(1H-indole-2-carbonylamino)hexanoate
CID 43407298
N-[3-[4-(dimethylamino)phenyl]propyl]-6-ethoxy-1H-indole-2-carboxamide
CID 55853367
N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 115627991
5-ethyl-N-(2-formamidoethyl)-1H-indole-2-carboxamide
CID 145164495

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]phenyl]propyl-methylamino]ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[3-[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]phenyl]propyl-methylamino]ethyl]-1H-indole-2-carboxamide (CID 87982328) is N-[2-[3-[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]phenyl]propyl-methylamino]ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[3-[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]phenyl]propyl-methylamino]ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[3-[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]phenyl]propyl-methylamino]ethyl]-1H-indole-2-carboxamide is CN(CCCc1ccc(CN(C=O)OC(C)(C)C)cc1)CCNC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[2-[3-[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]phenyl]propyl-methylamino]ethyl]-1H-indole-2-carboxamide?
The InChIKey is JGQFQNNLIAWRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O3/c1-27(2,3)34-31(20-32)19-22-13-11-21(12-14-22)8-7-16-30(4)17-15-28-26(33)25-18-23-9-5-6-10-24(23)29-25/h5-6,9-14,18,20,29H,7-8,15-17,19H2,1-4H3,(H,28,33).
What are the key properties of N-[2-[3-[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]phenyl]propyl-methylamino]ethyl]-1H-indole-2-carboxamide?
N-[2-[3-[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]phenyl]propyl-methylamino]ethyl]-1H-indole-2-carboxamide has a molecular weight of 464.61 g/mol, XLogP of 4.15, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]phenyl]propyl-methylamino]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 87982328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).