N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-6,6-difluoro-3-(methylamino)-2-oxohexanamide

C19H26F2N4O4 — CID 143315083

IUPACN-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-6,6-difluoro-3-(methylamino)-2-oxohexanamide
SMILESCNC(CCC(F)F)C(=O)C(=O)NCC(=O)NC(C(=O)N(C)C)c1ccccc1
InChIInChI=1S/C19H26F2N4O4/c1-22-13(9-10-14(20)21)17(27)18(28)23-11-15(26)24-16(19(29)25(2)3)12-7-5-4-6-8-12/h4-8,13-14,16,22H,9-11H2,1-3H3,(H,23,28)(H,24,26)
InChIKeyOVAFYKQTZZKNFZ-UHFFFAOYSA-N
MW412.44 g/mol
LogP0.25
Rot. Bonds11

About N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-6,6-difluoro-3-(methylamino)-2-oxohexanamide

N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-6,6-difluoro-3-(methylamino)-2-oxohexanamide (PubChem CID 143315083) has the molecular formula C19H26F2N4O4 and a molecular weight of 412.44 g/mol. Its IUPAC name is N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-6,6-difluoro-3-(methylamino)-2-oxohexanamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-6,6-difluoro-3-(methylamino)-2-oxohexanamide
PubChem CID143315083
Molecular FormulaC19H26F2N4O4
Molecular Weight412.44 g/mol
Exact Mass412.19
IUPAC NameN-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-6,6-difluoro-3-(methylamino)-2-oxohexanamide
SMILESCNC(CCC(F)F)C(=O)C(=O)NCC(=O)NC(C(=O)N(C)C)c1ccccc1
InChIInChI=1S/C19H26F2N4O4/c1-22-13(9-10-14(20)21)17(27)18(28)23-11-15(26)24-16(19(29)25(2)3)12-7-5-4-6-8-12/h4-8,13-14,16,22H,9-11H2,1-3H3,(H,23,28)(H,24,26)
InChIKeyOVAFYKQTZZKNFZ-UHFFFAOYSA-N
XLogP0.25
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-6,6-difluoro-3-(methylamino)-2-oxohexanamide with MolForge

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Related Compounds

propan-2-yl 2-[[2-[[3-(methylamino)-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate
CID 142090678
N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-3-formamido-2-oxopropanamide
CID 142091069
N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide
CID 58908933
(2S)-2-[[2-(hydroxyamino)acetyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 143355989
N-[1-cyclopropyl-4-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide
CID 143361931
3-amino-2-oxo-N-[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]hexanamide
CID 70315122
2-[(2-formamidoacetyl)amino]-N,N-dimethyl-2-phenylacetamide
CID 143314684
3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide
CID 59907004
(4R)-6-amino-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxynonanamide
CID 58263305
2-methylpropyl N-[(2S)-1-[(2S,5S)-2-[[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-5-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 58606175
2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(2S,5S)-2-[[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-5-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 58604894
2-methylpropyl N-[(2S)-1-[(2S,4S)-2-[[(3S)-1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 70863928

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-6,6-difluoro-3-(methylamino)-2-oxohexanamide?
The IUPAC name of N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-6,6-difluoro-3-(methylamino)-2-oxohexanamide (CID 143315083) is N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-6,6-difluoro-3-(methylamino)-2-oxohexanamide.
What is the SMILES notation for N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-6,6-difluoro-3-(methylamino)-2-oxohexanamide?
The canonical SMILES for N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-6,6-difluoro-3-(methylamino)-2-oxohexanamide is CNC(CCC(F)F)C(=O)C(=O)NCC(=O)NC(C(=O)N(C)C)c1ccccc1.
What is the InChIKey of N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-6,6-difluoro-3-(methylamino)-2-oxohexanamide?
The InChIKey is OVAFYKQTZZKNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N4O4/c1-22-13(9-10-14(20)21)17(27)18(28)23-11-15(26)24-16(19(29)25(2)3)12-7-5-4-6-8-12/h4-8,13-14,16,22H,9-11H2,1-3H3,(H,23,28)(H,24,26).
What are the key properties of N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-6,6-difluoro-3-(methylamino)-2-oxohexanamide?
N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-6,6-difluoro-3-(methylamino)-2-oxohexanamide has a molecular weight of 412.44 g/mol, XLogP of 0.25, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-6,6-difluoro-3-(methylamino)-2-oxohexanamide is sourced from PubChem (CID 143315083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).