2-[(2-fluoroacetyl)amino]-N-oxo-6-(propan-2-ylamino)hexanamide

C11H20FN3O3 — CID 146635039

IUPAC2-[(2-fluoroacetyl)amino]-N-oxo-6-(propan-2-ylamino)hexanamide
SMILESCC(C)NCCCCC(NC(=O)CF)C(=O)N=O
InChIInChI=1S/C11H20FN3O3/c1-8(2)13-6-4-3-5-9(11(17)15-18)14-10(16)7-12/h8-9,13H,3-7H2,1-2H3,(H,14,16)
InChIKeyHIFJLQHDWLCBLX-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.90
Rot. Bonds9

About 2-[(2-fluoroacetyl)amino]-N-oxo-6-(propan-2-ylamino)hexanamide

2-[(2-fluoroacetyl)amino]-N-oxo-6-(propan-2-ylamino)hexanamide (PubChem CID 146635039) has the molecular formula C11H20FN3O3 and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-[(2-fluoroacetyl)amino]-N-oxo-6-(propan-2-ylamino)hexanamide.

Molecular Properties

Compound Name2-[(2-fluoroacetyl)amino]-N-oxo-6-(propan-2-ylamino)hexanamide
PubChem CID146635039
Molecular FormulaC11H20FN3O3
Molecular Weight261.30 g/mol
Exact Mass261.15
IUPAC Name2-[(2-fluoroacetyl)amino]-N-oxo-6-(propan-2-ylamino)hexanamide
SMILESCC(C)NCCCCC(NC(=O)CF)C(=O)N=O
InChIInChI=1S/C11H20FN3O3/c1-8(2)13-6-4-3-5-9(11(17)15-18)14-10(16)7-12/h8-9,13H,3-7H2,1-2H3,(H,14,16)
InChIKeyHIFJLQHDWLCBLX-UHFFFAOYSA-N
XLogP0.90
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3,7-bis(propan-2-ylamino)heptan-2-one
CID 155409413
2-methyl-6-(propan-2-ylamino)hexanamide
CID 166138021
(2S)-2-(3,3-dimethylbutanoylamino)-6-(propan-2-ylamino)hexanoic acid
CID 134175354
ethane;2-methyl-6-(propan-2-ylamino)hexanamide
CID 166138020
3-[[2-oxo-3-(propan-2-ylamino)propyl]amino]-7-(propan-2-ylamino)heptan-2-one
CID 157112180
2-[3-(methylamino)propanoylamino]-6-(propan-2-ylamino)-N-[2-(propan-2-ylamino)ethyl]hexanamide
CID 171621363
5-methyl-N-[(4S)-2-methyl-3-oxo-8-(propan-2-ylamino)octan-4-yl]-4-oxohexanamide
CID 177095418
2-(methylamino)-5-(propan-2-ylamino)pentanoic acid
CID 168758875
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
8-methyl-N-[7-oxo-7-[[1-oxo-1,7-bis(propan-2-ylamino)heptan-2-yl]amino]-6-(propan-2-ylamino)heptyl]nonanamide
CID 165380224
N-[5-[2,6-bis(6-methylheptanoylamino)hexanoylamino]-7-methyl-6-oxooctyl]-6-methylheptanamide;6-methyl-N-[5-(6-methylheptanoylamino)-6-[[2-methyl-3-oxo-8-(propan-2-ylamino)octan-4-yl]amino]-6-oxohexyl]heptanamide
CID 165066016
(2R)-2-[[(1S)-1-carboxy-5-(propan-2-ylamino)pentyl]carbamoylamino]pentanedioic acid
CID 130425498

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoroacetyl)amino]-N-oxo-6-(propan-2-ylamino)hexanamide?
The IUPAC name of 2-[(2-fluoroacetyl)amino]-N-oxo-6-(propan-2-ylamino)hexanamide (CID 146635039) is 2-[(2-fluoroacetyl)amino]-N-oxo-6-(propan-2-ylamino)hexanamide.
What is the SMILES notation for 2-[(2-fluoroacetyl)amino]-N-oxo-6-(propan-2-ylamino)hexanamide?
The canonical SMILES for 2-[(2-fluoroacetyl)amino]-N-oxo-6-(propan-2-ylamino)hexanamide is CC(C)NCCCCC(NC(=O)CF)C(=O)N=O.
What is the InChIKey of 2-[(2-fluoroacetyl)amino]-N-oxo-6-(propan-2-ylamino)hexanamide?
The InChIKey is HIFJLQHDWLCBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3O3/c1-8(2)13-6-4-3-5-9(11(17)15-18)14-10(16)7-12/h8-9,13H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 2-[(2-fluoroacetyl)amino]-N-oxo-6-(propan-2-ylamino)hexanamide?
2-[(2-fluoroacetyl)amino]-N-oxo-6-(propan-2-ylamino)hexanamide has a molecular weight of 261.30 g/mol, XLogP of 0.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoroacetyl)amino]-N-oxo-6-(propan-2-ylamino)hexanamide is sourced from PubChem (CID 146635039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).