N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;2,2,4,4-tetramethylhexane

C27H44N4O5 — CID 171841582

IUPACN-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;2,2,4,4-tetramethylhexane
SMILESCCC(C)(C)CC(C)(C)C.Cc1nnc(-c2ccc(C(=O)NCCOCCOCCNC=O)cc2)o1
InChIInChI=1S/C17H22N4O5.C10H22/c1-13-20-21-17(26-13)15-4-2-14(3-5-15)16(23)19-7-9-25-11-10-24-8-6-18-12-22;1-7-10(5,6)8-9(2,3)4/h2-5,12H,6-11H2,1H3,(H,18,22)(H,19,23);7-8H2,1-6H3
InChIKeyQLWDKBQVORWQKK-UHFFFAOYSA-N
MW504.67 g/mol
LogP4.41
Rot. Bonds14

About N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;2,2,4,4-tetramethylhexane

N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;2,2,4,4-tetramethylhexane (PubChem CID 171841582) has the molecular formula C27H44N4O5 and a molecular weight of 504.67 g/mol. Its IUPAC name is N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;2,2,4,4-tetramethylhexane.

Molecular Properties

Compound NameN-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;2,2,4,4-tetramethylhexane
PubChem CID171841582
Molecular FormulaC27H44N4O5
Molecular Weight504.67 g/mol
Exact Mass504.33
IUPAC NameN-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;2,2,4,4-tetramethylhexane
SMILESCCC(C)(C)CC(C)(C)C.Cc1nnc(-c2ccc(C(=O)NCCOCCOCCNC=O)cc2)o1
InChIInChI=1S/C17H22N4O5.C10H22/c1-13-20-21-17(26-13)15-4-2-14(3-5-15)16(23)19-7-9-25-11-10-24-8-6-18-12-22;1-7-10(5,6)8-9(2,3)4/h2-5,12H,6-11H2,1H3,(H,18,22)(H,19,23);7-8H2,1-6H3
InChIKeyQLWDKBQVORWQKK-UHFFFAOYSA-N
XLogP4.41
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.67
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-[2-[3-oxo-3-[[2-(3,3,5,5-tetramethylhexanoylamino)spiro[3.3]heptan-6-yl]amino]propoxy]ethoxy]ethyl]benzamide
CID 171841678
tert-butyl N-[2-[2-[2-[2-[[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 178135860
2,2-dimethylpentane;ethane;4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-[2-[3-oxo-3-[[6-(propanoylamino)spiro[3.3]heptan-2-yl]amino]propoxy]ethoxy]ethyl]benzamide
CID 178135500
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 111912208
N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605172
N-(3-ethoxypropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 17493586
N-[(2-hydroxycyclopentyl)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 111540657
N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078798
N-(4-methoxybutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55724605
N-cyclopropyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693154
N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605190
N-(4-hydroxy-2-methylpentyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 111540039

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;2,2,4,4-tetramethylhexane?
The IUPAC name of N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;2,2,4,4-tetramethylhexane (CID 171841582) is N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;2,2,4,4-tetramethylhexane.
What is the SMILES notation for N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;2,2,4,4-tetramethylhexane?
The canonical SMILES for N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;2,2,4,4-tetramethylhexane is CCC(C)(C)CC(C)(C)C.Cc1nnc(-c2ccc(C(=O)NCCOCCOCCNC=O)cc2)o1.
What is the InChIKey of N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;2,2,4,4-tetramethylhexane?
The InChIKey is QLWDKBQVORWQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5.C10H22/c1-13-20-21-17(26-13)15-4-2-14(3-5-15)16(23)19-7-9-25-11-10-24-8-6-18-12-22;1-7-10(5,6)8-9(2,3)4/h2-5,12H,6-11H2,1H3,(H,18,22)(H,19,23);7-8H2,1-6H3.
What are the key properties of N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;2,2,4,4-tetramethylhexane?
N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;2,2,4,4-tetramethylhexane has a molecular weight of 504.67 g/mol, XLogP of 4.41, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;2,2,4,4-tetramethylhexane is sourced from PubChem (CID 171841582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).