N-[2-(diethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylpentanamide

C20H31FN4O3 — CID 43072470

IUPACN-[2-(diethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylpentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)N(C)CC(=O)N(CC)CC
InChIInChI=1S/C20H31FN4O3/c1-5-8-17(19(27)24(4)14-18(26)25(6-2)7-3)23-20(28)22-13-15-9-11-16(21)12-10-15/h9-12,17H,5-8,13-14H2,1-4H3,(H2,22,23,28)
InChIKeyHFSLQYBPFGKFEW-UHFFFAOYSA-N
MW394.49 g/mol
LogP2.12
Rot. Bonds10

About N-[2-(diethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylpentanamide

N-[2-(diethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylpentanamide (PubChem CID 43072470) has the molecular formula C20H31FN4O3 and a molecular weight of 394.49 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylpentanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylpentanamide
PubChem CID43072470
Molecular FormulaC20H31FN4O3
Molecular Weight394.49 g/mol
Exact Mass394.24
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylpentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)N(C)CC(=O)N(CC)CC
InChIInChI=1S/C20H31FN4O3/c1-5-8-17(19(27)24(4)14-18(26)25(6-2)7-3)23-20(28)22-13-15-9-11-16(21)12-10-15/h9-12,17H,5-8,13-14H2,1-4H3,(H2,22,23,28)
InChIKeyHFSLQYBPFGKFEW-UHFFFAOYSA-N
XLogP2.12
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylpentanamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylpentanamide (CID 43072470) is N-[2-(diethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylpentanamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylpentanamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylpentanamide is CCCC(NC(=O)NCc1ccc(F)cc1)C(=O)N(C)CC(=O)N(CC)CC.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylpentanamide?
The InChIKey is HFSLQYBPFGKFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN4O3/c1-5-8-17(19(27)24(4)14-18(26)25(6-2)7-3)23-20(28)22-13-15-9-11-16(21)12-10-15/h9-12,17H,5-8,13-14H2,1-4H3,(H2,22,23,28).
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylpentanamide?
N-[2-(diethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylpentanamide has a molecular weight of 394.49 g/mol, XLogP of 2.12, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylpentanamide is sourced from PubChem (CID 43072470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).