N-[3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]-2-chlorobenzamide

C17H24ClN3O3 — CID 18137353

IUPACN-[3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]-2-chlorobenzamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H24ClN3O3/c1-17(2,3)20-14(22)11-21(4)15(23)9-10-19-16(24)12-7-5-6-8-13(12)18/h5-8H,9-11H2,1-4H3,(H,19,24)(H,20,22)
InChIKeyJJTMNTSIEUFVKY-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.83
Rot. Bonds6

About N-[3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]-2-chlorobenzamide

N-[3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]-2-chlorobenzamide (PubChem CID 18137353) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]-2-chlorobenzamide
PubChem CID18137353
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC NameN-[3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]-2-chlorobenzamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H24ClN3O3/c1-17(2,3)20-14(22)11-21(4)15(23)9-10-19-16(24)12-7-5-6-8-13(12)18/h5-8H,9-11H2,1-4H3,(H,19,24)(H,20,22)
InChIKeyJJTMNTSIEUFVKY-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

N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-2-chlorobenzamide
CID 24546452
2-chloro-N-[3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 9480573
N-tert-butyl-2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 8767892
N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide
CID 17395441
N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-oxopropyl]-2-chlorobenzamide
CID 30509898
N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-oxopropyl]-2-chlorobenzamide
CID 9372601
N-[2-(tert-butylamino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide
CID 9193681
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide
CID 60717641
N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 8756656
ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate
CID 91637595
N-[2-(tert-butylamino)-2-oxoethyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide
CID 31550745
2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 134063159

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]-2-chlorobenzamide?
The IUPAC name of N-[3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]-2-chlorobenzamide (CID 18137353) is N-[3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]-2-chlorobenzamide.
What is the SMILES notation for N-[3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]-2-chlorobenzamide?
The canonical SMILES for N-[3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]-2-chlorobenzamide is CN(CC(=O)NC(C)(C)C)C(=O)CCNC(=O)c1ccccc1Cl.
What is the InChIKey of N-[3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]-2-chlorobenzamide?
The InChIKey is JJTMNTSIEUFVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-17(2,3)20-14(22)11-21(4)15(23)9-10-19-16(24)12-7-5-6-8-13(12)18/h5-8H,9-11H2,1-4H3,(H,19,24)(H,20,22).
What are the key properties of N-[3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]-2-chlorobenzamide?
N-[3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]-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-[3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]-2-chlorobenzamide is sourced from PubChem (CID 18137353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).