N-[2-[4,5-dihydro-1H-indol-2-ylmethyl(formyl)amino]ethyl]-N-ethyl-5-methoxy-1H-indole-2-carboxamide

C24H28N4O3 — CID 145164483

IUPACN-[2-[4,5-dihydro-1H-indol-2-ylmethyl(formyl)amino]ethyl]-N-ethyl-5-methoxy-1H-indole-2-carboxamide
SMILESCCN(CCN(C=O)Cc1cc2c([nH]1)C=CCC2)C(=O)c1cc2cc(OC)ccc2[nH]1
InChIInChI=1S/C24H28N4O3/c1-3-28(24(30)23-14-18-13-20(31-2)8-9-22(18)26-23)11-10-27(16-29)15-19-12-17-6-4-5-7-21(17)25-19/h5,7-9,12-14,16,25-26H,3-4,6,10-11,15H2,1-2H3
InChIKeyCMQNMMOCYIIJID-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.58
Rot. Bonds9

About N-[2-[4,5-dihydro-1H-indol-2-ylmethyl(formyl)amino]ethyl]-N-ethyl-5-methoxy-1H-indole-2-carboxamide

N-[2-[4,5-dihydro-1H-indol-2-ylmethyl(formyl)amino]ethyl]-N-ethyl-5-methoxy-1H-indole-2-carboxamide (PubChem CID 145164483) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[2-[4,5-dihydro-1H-indol-2-ylmethyl(formyl)amino]ethyl]-N-ethyl-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4,5-dihydro-1H-indol-2-ylmethyl(formyl)amino]ethyl]-N-ethyl-5-methoxy-1H-indole-2-carboxamide
PubChem CID145164483
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[2-[4,5-dihydro-1H-indol-2-ylmethyl(formyl)amino]ethyl]-N-ethyl-5-methoxy-1H-indole-2-carboxamide
SMILESCCN(CCN(C=O)Cc1cc2c([nH]1)C=CCC2)C(=O)c1cc2cc(OC)ccc2[nH]1
InChIInChI=1S/C24H28N4O3/c1-3-28(24(30)23-14-18-13-20(31-2)8-9-22(18)26-23)11-10-27(16-29)15-19-12-17-6-4-5-7-21(17)25-19/h5,7-9,12-14,16,25-26H,3-4,6,10-11,15H2,1-2H3
InChIKeyCMQNMMOCYIIJID-UHFFFAOYSA-N
XLogP3.58
TPSA81.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4,5-dihydro-1H-indol-2-ylmethyl(formyl)amino]ethyl]-N-ethyl-5-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[4,5-dihydro-1H-indol-2-ylmethyl(formyl)amino]ethyl]-N-ethyl-5-methoxy-1H-indole-2-carboxamide (CID 145164483) is N-[2-[4,5-dihydro-1H-indol-2-ylmethyl(formyl)amino]ethyl]-N-ethyl-5-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[4,5-dihydro-1H-indol-2-ylmethyl(formyl)amino]ethyl]-N-ethyl-5-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[4,5-dihydro-1H-indol-2-ylmethyl(formyl)amino]ethyl]-N-ethyl-5-methoxy-1H-indole-2-carboxamide is CCN(CCN(C=O)Cc1cc2c([nH]1)C=CCC2)C(=O)c1cc2cc(OC)ccc2[nH]1.
What is the InChIKey of N-[2-[4,5-dihydro-1H-indol-2-ylmethyl(formyl)amino]ethyl]-N-ethyl-5-methoxy-1H-indole-2-carboxamide?
The InChIKey is CMQNMMOCYIIJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-3-28(24(30)23-14-18-13-20(31-2)8-9-22(18)26-23)11-10-27(16-29)15-19-12-17-6-4-5-7-21(17)25-19/h5,7-9,12-14,16,25-26H,3-4,6,10-11,15H2,1-2H3.
What are the key properties of N-[2-[4,5-dihydro-1H-indol-2-ylmethyl(formyl)amino]ethyl]-N-ethyl-5-methoxy-1H-indole-2-carboxamide?
N-[2-[4,5-dihydro-1H-indol-2-ylmethyl(formyl)amino]ethyl]-N-ethyl-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,5-dihydro-1H-indol-2-ylmethyl(formyl)amino]ethyl]-N-ethyl-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 145164483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).