2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide

C34H52N4O6 — CID 3090863

IUPAC2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCOCCOCCN(CC(=O)Nc3c(C)cc(C)cc3C)CCOCCOCC2)c(C)c1
InChIInChI=1S/C34H52N4O6/c1-25-19-27(3)33(28(4)20-25)35-31(39)23-37-7-11-41-15-17-43-13-9-38(10-14-44-18-16-42-12-8-37)24-32(40)36-34-29(5)21-26(2)22-30(34)6/h19-22H,7-18,23-24H2,1-6H3,(H,35,39)(H,36,40)
InChIKeyYNKHNWBXNBUSLM-UHFFFAOYSA-N
MW612.81 g/mol
LogP3.80
Rot. Bonds6

About 2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 3090863) has the molecular formula C34H52N4O6 and a molecular weight of 612.81 g/mol. Its IUPAC name is 2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID3090863
Molecular FormulaC34H52N4O6
Molecular Weight612.81 g/mol
Exact Mass612.39
IUPAC Name2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCOCCOCCN(CC(=O)Nc3c(C)cc(C)cc3C)CCOCCOCC2)c(C)c1
InChIInChI=1S/C34H52N4O6/c1-25-19-27(3)33(28(4)20-25)35-31(39)23-37-7-11-41-15-17-43-13-9-38(10-14-44-18-16-42-12-8-37)24-32(40)36-34-29(5)21-26(2)22-30(34)6/h19-22H,7-18,23-24H2,1-6H3,(H,35,39)(H,36,40)
InChIKeyYNKHNWBXNBUSLM-UHFFFAOYSA-N
XLogP3.80
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.81
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide with MolForge

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Related Compounds

2-[(2-morpholin-4-ylacetyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 27135445
ethyl 4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperazine-1-carboxylate;hydrochloride
CID 3066137
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2653141
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 119922259
2,4,6-trimethyl-3-[(2-morpholin-4-ylacetyl)amino]benzenesulfonyl chloride
CID 45156390
N-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylacetamide
CID 3045297
N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 110688490
5-chloro-N,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 139237672
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8930661
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ylacetamide
CID 3069954
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983

Frequently Asked Questions

What is the IUPAC name of 2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 3090863) is 2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN2CCOCCOCCN(CC(=O)Nc3c(C)cc(C)cc3C)CCOCCOCC2)c(C)c1.
What is the InChIKey of 2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is YNKHNWBXNBUSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H52N4O6/c1-25-19-27(3)33(28(4)20-25)35-31(39)23-37-7-11-41-15-17-43-13-9-38(10-14-44-18-16-42-12-8-37)24-32(40)36-34-29(5)21-26(2)22-30(34)6/h19-22H,7-18,23-24H2,1-6H3,(H,35,39)(H,36,40).
What are the key properties of 2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 612.81 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 3090863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).