N,N-diethyl-2-(7-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetamide

C22H24N2O3 — CID 168946916

IUPACN,N-diethyl-2-(7-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetamide
SMILESCCN(CC)C(=O)C(=O)c1c[nH]c2c(C)ccc(OCc3ccccc3)c12
InChIInChI=1S/C22H24N2O3/c1-4-24(5-2)22(26)21(25)17-13-23-20-15(3)11-12-18(19(17)20)27-14-16-9-7-6-8-10-16/h6-13,23H,4-5,14H2,1-3H3
InChIKeyIQTPTJHZIGXJFU-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.11
Rot. Bonds7

About N,N-diethyl-2-(7-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetamide

N,N-diethyl-2-(7-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 168946916) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N,N-diethyl-2-(7-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(7-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetamide
PubChem CID168946916
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN,N-diethyl-2-(7-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetamide
SMILESCCN(CC)C(=O)C(=O)c1c[nH]c2c(C)ccc(OCc3ccccc3)c12
InChIInChI=1S/C22H24N2O3/c1-4-24(5-2)22(26)21(25)17-13-23-20-15(3)11-12-18(19(17)20)27-14-16-9-7-6-8-10-16/h6-13,23H,4-5,14H2,1-3H3
InChIKeyIQTPTJHZIGXJFU-UHFFFAOYSA-N
XLogP4.11
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-2-(4-phenylmethoxy-1H-indol-3-yl)acetyl chloride
CID 144992404
1-(4-phenylmethoxy-1H-indol-3-yl)ethanone
CID 158905078
2-(6-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetyl chloride
CID 168946883
ethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate
CID 10382679
5-chloro-N,N-diethyl-2-phenylmethoxybenzamide
CID 8799985
ethyl 2-(4-methyl-3-phenylmethoxyphenyl)-2-oxoacetate
CID 117480834
ethyl 8-methoxy-4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate
CID 19914495
2-amino-1-(4-methyl-3-phenylmethoxyphenyl)ethanone
CID 117391400
N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methoxy]benzamide
CID 141451288
1-[3-[2-(dibutylamino)ethyl]-4-phenylmethoxy-1H-indol-7-yl]-2,2,2-trifluoroethanone
CID 163387084
2-fluoro-6-methyl-3-phenylmethoxybenzoic acid
CID 67053712
2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid
CID 166161146

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(7-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N,N-diethyl-2-(7-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetamide (CID 168946916) is N,N-diethyl-2-(7-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N,N-diethyl-2-(7-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N,N-diethyl-2-(7-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetamide is CCN(CC)C(=O)C(=O)c1c[nH]c2c(C)ccc(OCc3ccccc3)c12.
What is the InChIKey of N,N-diethyl-2-(7-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is IQTPTJHZIGXJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-24(5-2)22(26)21(25)17-13-23-20-15(3)11-12-18(19(17)20)27-14-16-9-7-6-8-10-16/h6-13,23H,4-5,14H2,1-3H3.
What are the key properties of N,N-diethyl-2-(7-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetamide?
N,N-diethyl-2-(7-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 364.45 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(7-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 168946916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).