N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide

C30H35N3O4 — CID 46888491

IUPACN-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide
SMILESCC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4[nH]cc(CCNC(C)=O)c4c3)cc12
InChIInChI=1S/C30H35N3O4/c1-21(34)31-14-12-24-7-5-6-23-8-9-26(18-28(23)24)36-16-3-4-17-37-27-10-11-30-29(19-27)25(20-33-30)13-15-32-22(2)35/h5-11,18-20,33H,3-4,12-17H2,1-2H3,(H,31,34)(H,32,35)
InChIKeyGNQUIGRVFLTMRQ-UHFFFAOYSA-N
MW501.63 g/mol
LogP4.92
Rot. Bonds13

About N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide

N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide (PubChem CID 46888491) has the molecular formula C30H35N3O4 and a molecular weight of 501.63 g/mol. Its IUPAC name is N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide
PubChem CID46888491
Molecular FormulaC30H35N3O4
Molecular Weight501.63 g/mol
Exact Mass501.26
IUPAC NameN-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide
SMILESCC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4[nH]cc(CCNC(C)=O)c4c3)cc12
InChIInChI=1S/C30H35N3O4/c1-21(34)31-14-12-24-7-5-6-23-8-9-26(18-28(23)24)36-16-3-4-17-37-27-10-11-30-29(19-27)25(20-33-30)13-15-32-22(2)35/h5-11,18-20,33H,3-4,12-17H2,1-2H3,(H,31,34)(H,32,35)
InChIKeyGNQUIGRVFLTMRQ-UHFFFAOYSA-N
XLogP4.92
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.63
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide with MolForge

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Related Compounds

N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide
CID 90888260
N-[2-(7-propoxynaphthalen-1-yl)ethyl]acetamide
CID 10061753
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
N-[2-[5-(2-pyrazin-2-yloxyethoxy)-1H-indol-3-yl]ethyl]acetamide
CID 122684754
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide
CID 160629194
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284
N-[2-[5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-1H-indol-3-yl]ethyl]acetamide
CID 901727
N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
CID 10220759
N-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 87897806

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide (CID 46888491) is N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide is CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4[nH]cc(CCNC(C)=O)c4c3)cc12.
What is the InChIKey of N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide?
The InChIKey is GNQUIGRVFLTMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O4/c1-21(34)31-14-12-24-7-5-6-23-8-9-26(18-28(23)24)36-16-3-4-17-37-27-10-11-30-29(19-27)25(20-33-30)13-15-32-22(2)35/h5-11,18-20,33H,3-4,12-17H2,1-2H3,(H,31,34)(H,32,35).
What are the key properties of N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide?
N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide has a molecular weight of 501.63 g/mol, XLogP of 4.92, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide is sourced from PubChem (CID 46888491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).