[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate

C27H33N3O6 — CID 55999216

IUPAC[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
SMILESCOc1ccc(C(NC(=O)COC(=O)CCCc2nc(C(C)(C)C)no2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H33N3O6/c1-27(2,3)26-29-23(36-30-26)7-6-8-24(32)35-17-22(31)28-25(18-9-13-20(33-4)14-10-18)19-11-15-21(34-5)16-12-19/h9-16,25H,6-8,17H2,1-5H3,(H,28,31)
InChIKeyYGJLCYXDVMHDLT-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.16
Rot. Bonds11

About [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate

[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate (PubChem CID 55999216) has the molecular formula C27H33N3O6 and a molecular weight of 495.58 g/mol. Its IUPAC name is [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate.

Molecular Properties

Compound Name[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
PubChem CID55999216
Molecular FormulaC27H33N3O6
Molecular Weight495.58 g/mol
Exact Mass495.24
IUPAC Name[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
SMILESCOc1ccc(C(NC(=O)COC(=O)CCCc2nc(C(C)(C)C)no2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H33N3O6/c1-27(2,3)26-29-23(36-30-26)7-6-8-24(32)35-17-22(31)28-25(18-9-13-20(33-4)14-10-18)19-11-15-21(34-5)16-12-19/h9-16,25H,6-8,17H2,1-5H3,(H,28,31)
InChIKeyYGJLCYXDVMHDLT-UHFFFAOYSA-N
XLogP4.16
TPSA112.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate with MolForge

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Related Compounds

[2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 8569297
[2-(4-acetamidophenyl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55665755
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-[(4-methoxyphenyl)methoxy]ethyl]butanamide
CID 75399285
[2-(4-butylphenyl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55998284
N-[(2S)-1-aminopropan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 120507692
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55999622
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55665358
[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55999350
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55999755
[2-(benzhydrylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2592473
3-(2-methylbenzimidazol-1-yl)propyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 86847072
[2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 8608961

Frequently Asked Questions

What is the IUPAC name of [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate?
The IUPAC name of [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate (CID 55999216) is [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate.
What is the SMILES notation for [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate?
The canonical SMILES for [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate is COc1ccc(C(NC(=O)COC(=O)CCCc2nc(C(C)(C)C)no2)c2ccc(OC)cc2)cc1.
What is the InChIKey of [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate?
The InChIKey is YGJLCYXDVMHDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O6/c1-27(2,3)26-29-23(36-30-26)7-6-8-24(32)35-17-22(31)28-25(18-9-13-20(33-4)14-10-18)19-11-15-21(34-5)16-12-19/h9-16,25H,6-8,17H2,1-5H3,(H,28,31).
What are the key properties of [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate?
[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate has a molecular weight of 495.58 g/mol, XLogP of 4.16, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate is sourced from PubChem (CID 55999216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).