N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-2-chlorobenzamide

C17H24ClN3O3 — CID 24546452

IUPACN-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-2-chlorobenzamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H24ClN3O3/c1-5-21(11-14(22)20-17(2,3)4)15(23)10-19-16(24)12-8-6-7-9-13(12)18/h6-9H,5,10-11H2,1-4H3,(H,19,24)(H,20,22)
InChIKeyZXUHSEGGVDEKPL-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.83
Rot. Bonds6

About N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-2-chlorobenzamide

N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-2-chlorobenzamide (PubChem CID 24546452) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-2-chlorobenzamide
PubChem CID24546452
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC NameN-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-2-chlorobenzamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H24ClN3O3/c1-5-21(11-14(22)20-17(2,3)4)15(23)10-19-16(24)12-8-6-7-9-13(12)18/h6-9H,5,10-11H2,1-4H3,(H,19,24)(H,20,22)
InChIKeyZXUHSEGGVDEKPL-UHFFFAOYSA-N
XLogP1.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide
CID 60670695
ethyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]-ethylamino]acetate
CID 78901913
N-[3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]-2-chlorobenzamide
CID 18137353
2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 134063159
N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3-nitrobenzamide
CID 24546450
2-chloro-N-(3,3-dimethyl-2-oxobutyl)benzamide
CID 64991561
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide
CID 80710544
2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid
CID 61021393
N-tert-butyl-2-[(2-chloroacetyl)-ethylamino]acetamide
CID 2113270
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide
CID 79079783
2-[[2-[(2-chlorobenzoyl)amino]acetyl]-prop-2-enylamino]acetic acid
CID 79264733
N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 25315753

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-2-chlorobenzamide (CID 24546452) is N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-2-chlorobenzamide is CCN(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c1ccccc1Cl.
What is the InChIKey of N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-2-chlorobenzamide?
The InChIKey is ZXUHSEGGVDEKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-5-21(11-14(22)20-17(2,3)4)15(23)10-19-16(24)12-8-6-7-9-13(12)18/h6-9H,5,10-11H2,1-4H3,(H,19,24)(H,20,22).
What are the key properties of N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-2-chlorobenzamide?
N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-2-chlorobenzamide has a molecular weight of 353.85 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-2-chlorobenzamide is sourced from PubChem (CID 24546452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).