N-[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]-2-(2-methylpropylamino)-5-(trifluoromethyl)benzamide

C17H23F3N4O3 — CID 70011032

IUPACN-[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]-2-(2-methylpropylamino)-5-(trifluoromethyl)benzamide
SMILESCC(C)CNc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NC(C)C(N)=O
InChIInChI=1S/C17H23F3N4O3/c1-9(2)7-22-13-5-4-11(17(18,19)20)6-12(13)16(27)23-8-14(25)24-10(3)15(21)26/h4-6,9-10,22H,7-8H2,1-3H3,(H2,21,26)(H,23,27)(H,24,25)
InChIKeyHQOKNZDMPQMLBW-UHFFFAOYSA-N
MW388.39 g/mol
LogP1.49
Rot. Bonds8

About N-[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]-2-(2-methylpropylamino)-5-(trifluoromethyl)benzamide

N-[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]-2-(2-methylpropylamino)-5-(trifluoromethyl)benzamide (PubChem CID 70011032) has the molecular formula C17H23F3N4O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is N-[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]-2-(2-methylpropylamino)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]-2-(2-methylpropylamino)-5-(trifluoromethyl)benzamide
PubChem CID70011032
Molecular FormulaC17H23F3N4O3
Molecular Weight388.39 g/mol
Exact Mass388.17
IUPAC NameN-[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]-2-(2-methylpropylamino)-5-(trifluoromethyl)benzamide
SMILESCC(C)CNc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NC(C)C(N)=O
InChIInChI=1S/C17H23F3N4O3/c1-9(2)7-22-13-5-4-11(17(18,19)20)6-12(13)16(27)23-8-14(25)24-10(3)15(21)26/h4-6,9-10,22H,7-8H2,1-3H3,(H2,21,26)(H,23,27)(H,24,25)
InChIKeyHQOKNZDMPQMLBW-UHFFFAOYSA-N
XLogP1.49
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]-2-(propan-2-ylcarbamoylamino)-5-(trifluoromethyl)benzamide
CID 91563601
2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 167264759
N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86976279
N-[2-[[(2S,3S)-1-(2,2-dimethylpropylamino)-3-hydroxyhexan-2-yl]amino]-2-oxoethyl]-2-(propan-2-ylcarbamoylamino)-5-(trifluoromethyl)benzamide
CID 66767933
(2S)-3-[(2,4-dimethylphenyl)methylamino]-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethyl)benzoyl]amino]acetyl]amino]propanoic acid
CID 69321109
[(1R)-1-[[2-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]acetyl]amino]-3-methylbutoxy]boronic acid
CID 150543297
2-(2,2-difluoroethylamino)-N-(2-methylbut-3-yn-2-yl)-5-(trifluoromethyl)benzamide
CID 90095049
tert-butyl N-[(1R,2S)-2-[[2-[[2-(propan-2-ylcarbamoylamino)-5-(trifluoromethyl)benzoyl]amino]acetyl]amino]cyclohexyl]carbamate
CID 24799074
N-[2-[[(2S,3S)-1-[(2,4-dimethylphenyl)methylamino]-3-hydroxyhexan-2-yl]amino]-2-oxoethyl]-2-(propan-2-ylamino)-5-(trifluoromethyl)benzamide
CID 10165625
2-bromo-5-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)benzamide
CID 83142426
N-[2-[(1-amino-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 91393192
N-[2-[[(2S)-1-(tert-butylamino)-3-[(2,4-dimethylphenyl)methylamino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-(naphthalen-2-ylmethylamino)-5-(trifluoromethyl)benzamide
CID 23405933

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]-2-(2-methylpropylamino)-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]-2-(2-methylpropylamino)-5-(trifluoromethyl)benzamide (CID 70011032) is N-[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]-2-(2-methylpropylamino)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]-2-(2-methylpropylamino)-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]-2-(2-methylpropylamino)-5-(trifluoromethyl)benzamide is CC(C)CNc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NC(C)C(N)=O.
What is the InChIKey of N-[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]-2-(2-methylpropylamino)-5-(trifluoromethyl)benzamide?
The InChIKey is HQOKNZDMPQMLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O3/c1-9(2)7-22-13-5-4-11(17(18,19)20)6-12(13)16(27)23-8-14(25)24-10(3)15(21)26/h4-6,9-10,22H,7-8H2,1-3H3,(H2,21,26)(H,23,27)(H,24,25).
What are the key properties of N-[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]-2-(2-methylpropylamino)-5-(trifluoromethyl)benzamide?
N-[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]-2-(2-methylpropylamino)-5-(trifluoromethyl)benzamide has a molecular weight of 388.39 g/mol, XLogP of 1.49, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]-2-(2-methylpropylamino)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 70011032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).