N-[2-[2-[(2-fluoro-3-methylbutanoyl)-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide

C17H32FN3O3 — CID 138046468

IUPACN-[2-[2-[(2-fluoro-3-methylbutanoyl)-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(=O)N(C)CCN(C)C(=O)C(F)C(C)C
InChIInChI=1S/C17H32FN3O3/c1-12(2)7-8-14(22)19-11-15(23)20(5)9-10-21(6)17(24)16(18)13(3)4/h12-13,16H,7-11H2,1-6H3,(H,19,22)
InChIKeyFEYITHHMWKMIJS-UHFFFAOYSA-N
MW345.46 g/mol
LogP1.45
Rot. Bonds10

About N-[2-[2-[(2-fluoro-3-methylbutanoyl)-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide

N-[2-[2-[(2-fluoro-3-methylbutanoyl)-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide (PubChem CID 138046468) has the molecular formula C17H32FN3O3 and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[2-[2-[(2-fluoro-3-methylbutanoyl)-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-[2-[(2-fluoro-3-methylbutanoyl)-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide
PubChem CID138046468
Molecular FormulaC17H32FN3O3
Molecular Weight345.46 g/mol
Exact Mass345.24
IUPAC NameN-[2-[2-[(2-fluoro-3-methylbutanoyl)-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(=O)N(C)CCN(C)C(=O)C(F)C(C)C
InChIInChI=1S/C17H32FN3O3/c1-12(2)7-8-14(22)19-11-15(23)20(5)9-10-21(6)17(24)16(18)13(3)4/h12-13,16H,7-11H2,1-6H3,(H,19,22)
InChIKeyFEYITHHMWKMIJS-UHFFFAOYSA-N
XLogP1.45
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-[[(2R)-2-hydroxy-3-methylbutanoyl]-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide
CID 138046465
N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119582150
3-[[2-(butanoylamino)acetyl]-methylamino]propanoic acid
CID 115596400
3-[(3,4-difluorophenyl)methyl-[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid
CID 119208113
2-fluoro-N,N,3-trimethylbutanamide
CID 130964649
2-(butan-2-ylamino)-N-methyl-N-(3-methylbutyl)acetamide
CID 60964030
N-butyl-N'-methyl-N'-(4-methylpentyl)butanediamide;ethane
CID 169103058
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-methylpentanoylamino)acetate
CID 56519548
N-[(2R)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014440
N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014441
4-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]pentanamide
CID 120565270
(2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid
CID 119238547

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2-fluoro-3-methylbutanoyl)-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide?
The IUPAC name of N-[2-[2-[(2-fluoro-3-methylbutanoyl)-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide (CID 138046468) is N-[2-[2-[(2-fluoro-3-methylbutanoyl)-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-[2-[(2-fluoro-3-methylbutanoyl)-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide?
The canonical SMILES for N-[2-[2-[(2-fluoro-3-methylbutanoyl)-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide is CC(C)CCC(=O)NCC(=O)N(C)CCN(C)C(=O)C(F)C(C)C.
What is the InChIKey of N-[2-[2-[(2-fluoro-3-methylbutanoyl)-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide?
The InChIKey is FEYITHHMWKMIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32FN3O3/c1-12(2)7-8-14(22)19-11-15(23)20(5)9-10-21(6)17(24)16(18)13(3)4/h12-13,16H,7-11H2,1-6H3,(H,19,22).
What are the key properties of N-[2-[2-[(2-fluoro-3-methylbutanoyl)-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide?
N-[2-[2-[(2-fluoro-3-methylbutanoyl)-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide has a molecular weight of 345.46 g/mol, XLogP of 1.45, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2-fluoro-3-methylbutanoyl)-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide is sourced from PubChem (CID 138046468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).