N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C21H27N3O2 — CID 47082963

IUPACN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCCN(C)Cc1cccc(CNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)c1
InChIInChI=1S/C21H27N3O2/c1-4-24(3)13-16-8-5-7-15(11-16)12-22-21(26)20-14(2)19-17(23-20)9-6-10-18(19)25/h5,7-8,11,23H,4,6,9-10,12-13H2,1-3H3,(H,22,26)
InChIKeyGVMQZMORKNWWKA-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.22
Rot. Bonds6

About N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 47082963) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID47082963
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCCN(C)Cc1cccc(CNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)c1
InChIInChI=1S/C21H27N3O2/c1-4-24(3)13-16-8-5-7-15(11-16)12-22-21(26)20-14(2)19-17(23-20)9-6-10-18(19)25/h5,7-8,11,23H,4,6,9-10,12-13H2,1-3H3,(H,22,26)
InChIKeyGVMQZMORKNWWKA-UHFFFAOYSA-N
XLogP3.22
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 47082963) is N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is CCN(C)Cc1cccc(CNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)c1.
What is the InChIKey of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is GVMQZMORKNWWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-24(3)13-16-8-5-7-15(11-16)12-22-21(26)20-14(2)19-17(23-20)9-6-10-18(19)25/h5,7-8,11,23H,4,6,9-10,12-13H2,1-3H3,(H,22,26).
What are the key properties of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 47082963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).