N-[(2-ethoxyphenyl)methyl]-N,3,5-trimethyl-1H-indole-2-carboxamide

C21H24N2O2 — CID 70731482

IUPACN-[(2-ethoxyphenyl)methyl]-N,3,5-trimethyl-1H-indole-2-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)c1[nH]c2ccc(C)cc2c1C
InChIInChI=1S/C21H24N2O2/c1-5-25-19-9-7-6-8-16(19)13-23(4)21(24)20-15(3)17-12-14(2)10-11-18(17)22-20/h6-12,22H,5,13H2,1-4H3
InChIKeyROSCCJOJDCBXBT-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.46
Rot. Bonds5

About N-[(2-ethoxyphenyl)methyl]-N,3,5-trimethyl-1H-indole-2-carboxamide

N-[(2-ethoxyphenyl)methyl]-N,3,5-trimethyl-1H-indole-2-carboxamide (PubChem CID 70731482) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-N,3,5-trimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-N,3,5-trimethyl-1H-indole-2-carboxamide
PubChem CID70731482
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[(2-ethoxyphenyl)methyl]-N,3,5-trimethyl-1H-indole-2-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)c1[nH]c2ccc(C)cc2c1C
InChIInChI=1S/C21H24N2O2/c1-5-25-19-9-7-6-8-16(19)13-23(4)21(24)20-15(3)17-12-14(2)10-11-18(17)22-20/h6-12,22H,5,13H2,1-4H3
InChIKeyROSCCJOJDCBXBT-UHFFFAOYSA-N
XLogP4.46
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N,3,6-trimethyl-1H-indole-2-carboxamide
CID 113204974
N,3,5-trimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-1H-indole-2-carboxamide
CID 70754155
3-[[(2-ethoxyphenyl)methylamino]methyl]-6-methyl-1H-indole-2-carboxylic acid
CID 53208773
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
N-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide
CID 61026834
1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115452916
3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 55861656
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 54873676
1-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 60963653
4-acetyl-N,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 38258314
N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79200511
ethyl 3-[(dimethylamino)methyl]-5-methyl-1H-indole-2-carboxylate
CID 938498

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-N,3,5-trimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-N,3,5-trimethyl-1H-indole-2-carboxamide (CID 70731482) is N-[(2-ethoxyphenyl)methyl]-N,3,5-trimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-N,3,5-trimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-N,3,5-trimethyl-1H-indole-2-carboxamide is CCOc1ccccc1CN(C)C(=O)c1[nH]c2ccc(C)cc2c1C.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-N,3,5-trimethyl-1H-indole-2-carboxamide?
The InChIKey is ROSCCJOJDCBXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-5-25-19-9-7-6-8-16(19)13-23(4)21(24)20-15(3)17-12-14(2)10-11-18(17)22-20/h6-12,22H,5,13H2,1-4H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-N,3,5-trimethyl-1H-indole-2-carboxamide?
N-[(2-ethoxyphenyl)methyl]-N,3,5-trimethyl-1H-indole-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-N,3,5-trimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 70731482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).