N'-butyl-N'-[2-(tert-butylamino)-1-(2-chlorophenyl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide

C24H33ClN4O4 — CID 3216329

IUPACN'-butyl-N'-[2-(tert-butylamino)-1-(2-chlorophenyl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCCCCN(C(=O)CCC(=O)Nc1cc(C)on1)C(C(=O)NC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C24H33ClN4O4/c1-6-7-14-29(21(31)13-12-20(30)26-19-15-16(2)33-28-19)22(23(32)27-24(3,4)5)17-10-8-9-11-18(17)25/h8-11,15,22H,6-7,12-14H2,1-5H3,(H,27,32)(H,26,28,30)
InChIKeyNLAZHHUAQKIEEH-UHFFFAOYSA-N
MW477.01 g/mol
LogP4.64
Rot. Bonds10

About N'-butyl-N'-[2-(tert-butylamino)-1-(2-chlorophenyl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide

N'-butyl-N'-[2-(tert-butylamino)-1-(2-chlorophenyl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide (PubChem CID 3216329) has the molecular formula C24H33ClN4O4 and a molecular weight of 477.01 g/mol. Its IUPAC name is N'-butyl-N'-[2-(tert-butylamino)-1-(2-chlorophenyl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide.

Molecular Properties

Compound NameN'-butyl-N'-[2-(tert-butylamino)-1-(2-chlorophenyl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
PubChem CID3216329
Molecular FormulaC24H33ClN4O4
Molecular Weight477.01 g/mol
Exact Mass476.22
IUPAC NameN'-butyl-N'-[2-(tert-butylamino)-1-(2-chlorophenyl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCCCCN(C(=O)CCC(=O)Nc1cc(C)on1)C(C(=O)NC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C24H33ClN4O4/c1-6-7-14-29(21(31)13-12-20(30)26-19-15-16(2)33-28-19)22(23(32)27-24(3,4)5)17-10-8-9-11-18(17)25/h8-11,15,22H,6-7,12-14H2,1-5H3,(H,27,32)(H,26,28,30)
InChIKeyNLAZHHUAQKIEEH-UHFFFAOYSA-N
XLogP4.64
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.01
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-[2-(tert-butylamino)-1-(2-chlorophenyl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The IUPAC name of N'-butyl-N'-[2-(tert-butylamino)-1-(2-chlorophenyl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide (CID 3216329) is N'-butyl-N'-[2-(tert-butylamino)-1-(2-chlorophenyl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide.
What is the SMILES notation for N'-butyl-N'-[2-(tert-butylamino)-1-(2-chlorophenyl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The canonical SMILES for N'-butyl-N'-[2-(tert-butylamino)-1-(2-chlorophenyl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide is CCCCN(C(=O)CCC(=O)Nc1cc(C)on1)C(C(=O)NC(C)(C)C)c1ccccc1Cl.
What is the InChIKey of N'-butyl-N'-[2-(tert-butylamino)-1-(2-chlorophenyl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The InChIKey is NLAZHHUAQKIEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN4O4/c1-6-7-14-29(21(31)13-12-20(30)26-19-15-16(2)33-28-19)22(23(32)27-24(3,4)5)17-10-8-9-11-18(17)25/h8-11,15,22H,6-7,12-14H2,1-5H3,(H,27,32)(H,26,28,30).
What are the key properties of N'-butyl-N'-[2-(tert-butylamino)-1-(2-chlorophenyl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
N'-butyl-N'-[2-(tert-butylamino)-1-(2-chlorophenyl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide has a molecular weight of 477.01 g/mol, XLogP of 4.64, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-[2-(tert-butylamino)-1-(2-chlorophenyl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide is sourced from PubChem (CID 3216329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).