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

C15H20ClN3O3 — CID 24637788

IUPACN-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide
SMILESCC(C)(C)NC(=O)CNC(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3O3/c1-15(2,3)19-13(21)9-17-12(20)8-18-14(22)10-5-4-6-11(16)7-10/h4-7H,8-9H2,1-3H3,(H,17,20)(H,18,22)(H,19,21)
InChIKeyOLBYFSQQELLAJF-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.10
Rot. Bonds5

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

N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide (PubChem CID 24637788) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide
PubChem CID24637788
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC NameN-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide
SMILESCC(C)(C)NC(=O)CNC(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3O3/c1-15(2,3)19-13(21)9-17-12(20)8-18-14(22)10-5-4-6-11(16)7-10/h4-7H,8-9H2,1-3H3,(H,17,20)(H,18,22)(H,19,21)
InChIKeyOLBYFSQQELLAJF-UHFFFAOYSA-N
XLogP1.10
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]benzamide
CID 103933438
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide
CID 24634953
3-chloro-N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]benzamide
CID 109380818
(2R)-2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]propanoic acid
CID 54991487
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26456891
3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 38294554
4-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]butanoic acid
CID 43241156
3-chloro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981708
3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 772080
N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-hydroxybenzamide
CID 115279278
3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide
CID 24537992

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide?
The IUPAC name of N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide (CID 24637788) is N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide.
What is the SMILES notation for N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide?
The canonical SMILES for N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide is CC(C)(C)NC(=O)CNC(=O)CNC(=O)c1cccc(Cl)c1.
What is the InChIKey of N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide?
The InChIKey is OLBYFSQQELLAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-15(2,3)19-13(21)9-17-12(20)8-18-14(22)10-5-4-6-11(16)7-10/h4-7H,8-9H2,1-3H3,(H,17,20)(H,18,22)(H,19,21).
What are the key properties of N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide?
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide has a molecular weight of 325.80 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide is sourced from PubChem (CID 24637788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).