tert-butyl N-methyl-N-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]methyl]carbamate

C20H28N4O4 — CID 86853937

IUPACtert-butyl N-methyl-N-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]methyl]carbamate
SMILESCc1noc(CCCC(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C20H28N4O4/c1-14-21-18(28-23-14)12-8-11-17(25)22-16-10-7-6-9-15(16)13-24(5)19(26)27-20(2,3)4/h6-7,9-10H,8,11-13H2,1-5H3,(H,22,25)
InChIKeyDPQKXSDLOXFCIL-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.71
Rot. Bonds7

About tert-butyl N-methyl-N-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]methyl]carbamate

tert-butyl N-methyl-N-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]methyl]carbamate (PubChem CID 86853937) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]methyl]carbamate
PubChem CID86853937
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Nametert-butyl N-methyl-N-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]methyl]carbamate
SMILESCc1noc(CCCC(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C20H28N4O4/c1-14-21-18(28-23-14)12-8-11-17(25)22-16-10-7-6-9-15(16)13-24(5)19(26)27-20(2,3)4/h6-7,9-10H,8,11-13H2,1-5H3,(H,22,25)
InChIKeyDPQKXSDLOXFCIL-UHFFFAOYSA-N
XLogP3.71
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-methyl-N-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]methyl]carbamate with MolForge

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Related Compounds

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N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pentanamide
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4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide
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N-(2-ethylphenyl)-2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]acetamide
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N-(2-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 47180517
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-hydroxypentanamide
CID 79199579
N-(2-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160338
tert-butyl N-methyl-N-[[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]methyl]carbamate
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4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 17101227
N-[3-(N-methylanilino)propyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 86990282
tert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate
CID 103818744
tert-butyl N-[[2-(2-ethylbutylamino)phenyl]methyl]-N-methylcarbamate
CID 107242386

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]methyl]carbamate (CID 86853937) is tert-butyl N-methyl-N-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]methyl]carbamate is Cc1noc(CCCC(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-methyl-N-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]methyl]carbamate?
The InChIKey is DPQKXSDLOXFCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-14-21-18(28-23-14)12-8-11-17(25)22-16-10-7-6-9-15(16)13-24(5)19(26)27-20(2,3)4/h6-7,9-10H,8,11-13H2,1-5H3,(H,22,25).
What are the key properties of tert-butyl N-methyl-N-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]methyl]carbamate?
tert-butyl N-methyl-N-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]methyl]carbamate has a molecular weight of 388.47 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]methyl]carbamate is sourced from PubChem (CID 86853937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).