N-[4-[2-(dimethylamino)ethoxy]phenyl]-5,6-dimethoxy-1-methylindole-2-carboxamide

C22H27N3O4 — CID 121239053

IUPACN-[4-[2-(dimethylamino)ethoxy]phenyl]-5,6-dimethoxy-1-methylindole-2-carboxamide
SMILESCOc1cc2cc(C(=O)Nc3ccc(OCCN(C)C)cc3)n(C)c2cc1OC
InChIInChI=1S/C22H27N3O4/c1-24(2)10-11-29-17-8-6-16(7-9-17)23-22(26)19-12-15-13-20(27-4)21(28-5)14-18(15)25(19)3/h6-9,12-14H,10-11H2,1-5H3,(H,23,26)
InChIKeyKLVBMDWGNYAGME-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.39
Rot. Bonds8

About N-[4-[2-(dimethylamino)ethoxy]phenyl]-5,6-dimethoxy-1-methylindole-2-carboxamide

N-[4-[2-(dimethylamino)ethoxy]phenyl]-5,6-dimethoxy-1-methylindole-2-carboxamide (PubChem CID 121239053) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]phenyl]-5,6-dimethoxy-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-5,6-dimethoxy-1-methylindole-2-carboxamide
PubChem CID121239053
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-5,6-dimethoxy-1-methylindole-2-carboxamide
SMILESCOc1cc2cc(C(=O)Nc3ccc(OCCN(C)C)cc3)n(C)c2cc1OC
InChIInChI=1S/C22H27N3O4/c1-24(2)10-11-29-17-8-6-16(7-9-17)23-22(26)19-12-15-13-20(27-4)21(28-5)14-18(15)25(19)3/h6-9,12-14H,10-11H2,1-5H3,(H,23,26)
InChIKeyKLVBMDWGNYAGME-UHFFFAOYSA-N
XLogP3.39
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethoxy-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-2-carboxamide
CID 71829408
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide
CID 87006864
5-methoxy-1-methyl-N-phenylindole-2-carboxamide
CID 10707870
5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide
CID 60793170
4,5-dibromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrole-2-carboxamide
CID 122207547
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(methoxymethyl)benzamide
CID 87006893
5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-2-carboxamide
CID 60793021
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 54862434
N-(3-acetamidophenyl)-5-methoxy-1-methylindole-2-carboxamide
CID 110861255
N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,1,3,3-tetramethyl-2H-indene-5-carboxamide
CID 19760314
1,5-dimethyl-N-(4-methylphenyl)indole-2-carboxamide
CID 7329101
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide
CID 87006868

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-5,6-dimethoxy-1-methylindole-2-carboxamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-5,6-dimethoxy-1-methylindole-2-carboxamide (CID 121239053) is N-[4-[2-(dimethylamino)ethoxy]phenyl]-5,6-dimethoxy-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]phenyl]-5,6-dimethoxy-1-methylindole-2-carboxamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]phenyl]-5,6-dimethoxy-1-methylindole-2-carboxamide is COc1cc2cc(C(=O)Nc3ccc(OCCN(C)C)cc3)n(C)c2cc1OC.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]phenyl]-5,6-dimethoxy-1-methylindole-2-carboxamide?
The InChIKey is KLVBMDWGNYAGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-24(2)10-11-29-17-8-6-16(7-9-17)23-22(26)19-12-15-13-20(27-4)21(28-5)14-18(15)25(19)3/h6-9,12-14H,10-11H2,1-5H3,(H,23,26).
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]phenyl]-5,6-dimethoxy-1-methylindole-2-carboxamide?
N-[4-[2-(dimethylamino)ethoxy]phenyl]-5,6-dimethoxy-1-methylindole-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]phenyl]-5,6-dimethoxy-1-methylindole-2-carboxamide is sourced from PubChem (CID 121239053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).