4-(4-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide

C15H23FN2O2 — CID 64706234

IUPAC4-(4-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
SMILESCC(C)NC(C)(CC(C)Oc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C15H23FN2O2/c1-10(2)18-15(4,14(17)19)9-11(3)20-13-7-5-12(16)6-8-13/h5-8,10-11,18H,9H2,1-4H3,(H2,17,19)
InChIKeyIBXGVTJCOBIOMM-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.23
Rot. Bonds7

About 4-(4-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide

4-(4-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide (PubChem CID 64706234) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
PubChem CID64706234
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name4-(4-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
SMILESCC(C)NC(C)(CC(C)Oc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C15H23FN2O2/c1-10(2)18-15(4,14(17)19)9-11(3)20-13-7-5-12(16)6-8-13/h5-8,10-11,18H,9H2,1-4H3,(H2,17,19)
InChIKeyIBXGVTJCOBIOMM-UHFFFAOYSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide
CID 64705782
4-(4-methoxyphenoxy)-2-methyl-2-(methylamino)pentanamide
CID 64705841
4-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 64706231
4-ethoxy-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64707210
2-(cyclopropylamino)-4-(3,5-difluorophenoxy)-2-methylpentanamide
CID 64720260
2-(cyclopropylamino)-2-methyl-4-phenoxypentanamide
CID 64706033
4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64711066
2-(ethylamino)-4-(4-fluorophenoxy)-2-methylpentan-1-ol
CID 64803932
4-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64718485
4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanamide
CID 64719136
ethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate
CID 64706858
1-amino-N-[2-(4-fluorophenoxy)propyl]cyclopentane-1-carboxamide
CID 119335506

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide?
The IUPAC name of 4-(4-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide (CID 64706234) is 4-(4-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide.
What is the SMILES notation for 4-(4-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide?
The canonical SMILES for 4-(4-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide is CC(C)NC(C)(CC(C)Oc1ccc(F)cc1)C(N)=O.
What is the InChIKey of 4-(4-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide?
The InChIKey is IBXGVTJCOBIOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-10(2)18-15(4,14(17)19)9-11(3)20-13-7-5-12(16)6-8-13/h5-8,10-11,18H,9H2,1-4H3,(H2,17,19).
What are the key properties of 4-(4-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide?
4-(4-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide has a molecular weight of 282.36 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide is sourced from PubChem (CID 64706234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).