N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide

C22H25N3O6 — CID 31955158

IUPACN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)Nc3ccc(OCC(=O)N(C)C)cc3)[nH]c2c1OC
InChIInChI=1S/C22H25N3O6/c1-25(2)19(26)12-31-14-8-6-13(7-9-14)23-22(27)16-10-15-17(28-3)11-18(29-4)21(30-5)20(15)24-16/h6-11,24H,12H2,1-5H3,(H,23,27)
InChIKeyIRUGFUWZMXNOOZ-UHFFFAOYSA-N
MW427.46 g/mol
LogP2.91
Rot. Bonds8

About N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide

N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide (PubChem CID 31955158) has the molecular formula C22H25N3O6 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
PubChem CID31955158
Molecular FormulaC22H25N3O6
Molecular Weight427.46 g/mol
Exact Mass427.17
IUPAC NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)Nc3ccc(OCC(=O)N(C)C)cc3)[nH]c2c1OC
InChIInChI=1S/C22H25N3O6/c1-25(2)19(26)12-31-14-8-6-13(7-9-14)23-22(27)16-10-15-17(28-3)11-18(29-4)21(30-5)20(15)24-16/h6-11,24H,12H2,1-5H3,(H,23,27)
InChIKeyIRUGFUWZMXNOOZ-UHFFFAOYSA-N
XLogP2.91
TPSA102.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide
CID 55847127
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methoxybenzamide
CID 32943268
2-[4-[(4,6-dimethoxy-1H-indole-2-carbonyl)amino]phenoxy]acetic acid
CID 167761114
N-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39877251
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39898700
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 32943769
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-propan-2-ylbenzamide
CID 32943301
2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-methoxyphenyl)benzamide
CID 34815754
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide
CID 32943144
N-(4-tert-butylphenyl)-5,6,7-trimethoxy-1H-indole-2-carboxamide
CID 47027000
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-nitrobenzamide
CID 32943243
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 55968926

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide (CID 31955158) is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide is COc1cc(OC)c2cc(C(=O)Nc3ccc(OCC(=O)N(C)C)cc3)[nH]c2c1OC.
What is the InChIKey of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The InChIKey is IRUGFUWZMXNOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6/c1-25(2)19(26)12-31-14-8-6-13(7-9-14)23-22(27)16-10-15-17(28-3)11-18(29-4)21(30-5)20(15)24-16/h6-11,24H,12H2,1-5H3,(H,23,27).
What are the key properties of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 31955158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).