2-(4-methoxyphenyl)-N-[2-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide;oxalic acid

C24H29N3O6 — CID 14181017

IUPAC2-(4-methoxyphenyl)-N-[2-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide;oxalic acid
SMILESCNCCc1c[nH]c2ccc(CCNC(=O)Cc3ccc(OC)cc3)cc12.O=C(O)C(=O)O
InChIInChI=1S/C22H27N3O2.C2H2O4/c1-23-11-10-18-15-25-21-8-5-17(13-20(18)21)9-12-24-22(26)14-16-3-6-19(27-2)7-4-16;3-1(4)2(5)6/h3-8,13,15,23,25H,9-12,14H2,1-2H3,(H,24,26);(H,3,4)(H,5,6)
InChIKeyHDNBMLLRSCAQOE-UHFFFAOYSA-N
MW455.51 g/mol
LogP2.00
Rot. Bonds9

About 2-(4-methoxyphenyl)-N-[2-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide;oxalic acid

2-(4-methoxyphenyl)-N-[2-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide;oxalic acid (PubChem CID 14181017) has the molecular formula C24H29N3O6 and a molecular weight of 455.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide;oxalic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide;oxalic acid
PubChem CID14181017
Molecular FormulaC24H29N3O6
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC Name2-(4-methoxyphenyl)-N-[2-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide;oxalic acid
SMILESCNCCc1c[nH]c2ccc(CCNC(=O)Cc3ccc(OC)cc3)cc12.O=C(O)C(=O)O
InChIInChI=1S/C22H27N3O2.C2H2O4/c1-23-11-10-18-15-25-21-8-5-17(13-20(18)21)9-12-24-22(26)14-16-3-6-19(27-2)7-4-16;3-1(4)2(5)6/h3-8,13,15,23,25H,9-12,14H2,1-2H3,(H,24,26);(H,3,4)(H,5,6)
InChIKeyHDNBMLLRSCAQOE-UHFFFAOYSA-N
XLogP2.00
TPSA140.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 52.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 18794242
N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 71926324
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948641
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide
CID 131951038
2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 17053042
(4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 24749698
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 2972714

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide;oxalic acid?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide;oxalic acid (CID 14181017) is 2-(4-methoxyphenyl)-N-[2-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide;oxalic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide;oxalic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide;oxalic acid is CNCCc1c[nH]c2ccc(CCNC(=O)Cc3ccc(OC)cc3)cc12.O=C(O)C(=O)O.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide;oxalic acid?
The InChIKey is HDNBMLLRSCAQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.C2H2O4/c1-23-11-10-18-15-25-21-8-5-17(13-20(18)21)9-12-24-22(26)14-16-3-6-19(27-2)7-4-16;3-1(4)2(5)6/h3-8,13,15,23,25H,9-12,14H2,1-2H3,(H,24,26);(H,3,4)(H,5,6).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide;oxalic acid?
2-(4-methoxyphenyl)-N-[2-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide;oxalic acid has a molecular weight of 455.51 g/mol, XLogP of 2.00, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide;oxalic acid is sourced from PubChem (CID 14181017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).