N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide

C19H28N4O3 — CID 609555

IUPACN-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1c(=O)n(CC(=O)NC(C)(C)C)c2ccccc21
InChIInChI=1S/C19H28N4O3/c1-18(2,3)20-15(24)11-22-13-9-7-8-10-14(13)23(17(22)26)12-16(25)21-19(4,5)6/h7-10H,11-12H2,1-6H3,(H,20,24)(H,21,25)
InChIKeyLOQPODZQECODAY-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.63
Rot. Bonds4

About N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide

N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide (PubChem CID 609555) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide
PubChem CID609555
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1c(=O)n(CC(=O)NC(C)(C)C)c2ccccc21
InChIInChI=1S/C19H28N4O3/c1-18(2,3)20-15(24)11-22-13-9-7-8-10-14(13)23(17(22)26)12-16(25)21-19(4,5)6/h7-10H,11-12H2,1-6H3,(H,20,24)(H,21,25)
InChIKeyLOQPODZQECODAY-UHFFFAOYSA-N
XLogP1.63
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide (CID 609555) is N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide is CC(C)(C)NC(=O)Cn1c(=O)n(CC(=O)NC(C)(C)C)c2ccccc21.
What is the InChIKey of N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide?
The InChIKey is LOQPODZQECODAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-18(2,3)20-15(24)11-22-13-9-7-8-10-14(13)23(17(22)26)12-16(25)21-19(4,5)6/h7-10H,11-12H2,1-6H3,(H,20,24)(H,21,25).
What are the key properties of N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide?
N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide has a molecular weight of 360.46 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide is sourced from PubChem (CID 609555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).