N-[2-[[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide

C20H31FN2O3 — CID 86941025

IUPACN-[2-[[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(=O)NC(COc1ccccc1F)C(C)(C)C
InChIInChI=1S/C20H31FN2O3/c1-14(2)10-11-18(24)22-12-19(25)23-17(20(3,4)5)13-26-16-9-7-6-8-15(16)21/h6-9,14,17H,10-13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyLJLCWWXWSIZYOO-UHFFFAOYSA-N
MW366.48 g/mol
LogP3.29
Rot. Bonds9

About N-[2-[[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide

N-[2-[[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide (PubChem CID 86941025) has the molecular formula C20H31FN2O3 and a molecular weight of 366.48 g/mol. Its IUPAC name is N-[2-[[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-[[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide
PubChem CID86941025
Molecular FormulaC20H31FN2O3
Molecular Weight366.48 g/mol
Exact Mass366.23
IUPAC NameN-[2-[[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(=O)NC(COc1ccccc1F)C(C)(C)C
InChIInChI=1S/C20H31FN2O3/c1-14(2)10-11-18(24)22-12-19(25)23-17(20(3,4)5)13-26-16-9-7-6-8-15(16)21/h6-9,14,17H,10-13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyLJLCWWXWSIZYOO-UHFFFAOYSA-N
XLogP3.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]pentanamide
CID 86940685
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(furan-2-yl)propanamide
CID 86940639
N-[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 96526024
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 86940734
2,2-dichloro-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 86940721
1-[(4-cyanophenyl)methyl]-3-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]urea
CID 86941194
2-[[(2R)-1-(2-fluorophenoxy)propan-2-yl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 95159960
N-[(2S)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2H-triazole-4-carboxamide
CID 96527038
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]thiomorpholine-4-carboxamide
CID 86941232
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]acetamide
CID 86941016
N-[(2S)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 96526002
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-methoxythiophene-2-carboxamide
CID 86940750

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide?
The IUPAC name of N-[2-[[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide (CID 86941025) is N-[2-[[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-[[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide?
The canonical SMILES for N-[2-[[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide is CC(C)CCC(=O)NCC(=O)NC(COc1ccccc1F)C(C)(C)C.
What is the InChIKey of N-[2-[[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide?
The InChIKey is LJLCWWXWSIZYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN2O3/c1-14(2)10-11-18(24)22-12-19(25)23-17(20(3,4)5)13-26-16-9-7-6-8-15(16)21/h6-9,14,17H,10-13H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide?
N-[2-[[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide has a molecular weight of 366.48 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide is sourced from PubChem (CID 86941025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).