N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methyl-3-(methylamino)propanamide

C16H24FN3O2 — CID 119892357

IUPACN-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(NCC2CCCO2)c(F)c1
InChIInChI=1S/C16H24FN3O2/c1-11(9-18-2)16(21)20-12-5-6-15(14(17)8-12)19-10-13-4-3-7-22-13/h5-6,8,11,13,18-19H,3-4,7,9-10H2,1-2H3,(H,20,21)
InChIKeyOYNVMTGMRIHINU-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.21
Rot. Bonds7

About N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methyl-3-(methylamino)propanamide

N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119892357) has the molecular formula C16H24FN3O2 and a molecular weight of 309.38 g/mol. Its IUPAC name is N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119892357
Molecular FormulaC16H24FN3O2
Molecular Weight309.38 g/mol
Exact Mass309.19
IUPAC NameN-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(NCC2CCCO2)c(F)c1
InChIInChI=1S/C16H24FN3O2/c1-11(9-18-2)16(21)20-12-5-6-15(14(17)8-12)19-10-13-4-3-7-22-13/h5-6,8,11,13,18-19H,3-4,7,9-10H2,1-2H3,(H,20,21)
InChIKeyOYNVMTGMRIHINU-UHFFFAOYSA-N
XLogP2.21
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methylbutanamide;dihydrochloride
CID 120504135
2-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800997
2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119701973
1-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119892314
7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide
CID 119892317
N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide
CID 95774376
1-cyano-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclohexane-1-carboxamide
CID 56794269
2-chloro-N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-1,3-thiazole-4-carboxamide
CID 97309960
4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119186214
2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 119712739
3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide
CID 95633182
N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide
CID 126768224

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methyl-3-(methylamino)propanamide (CID 119892357) is N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)Nc1ccc(NCC2CCCO2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is OYNVMTGMRIHINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-11(9-18-2)16(21)20-12-5-6-15(14(17)8-12)19-10-13-4-3-7-22-13/h5-6,8,11,13,18-19H,3-4,7,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methyl-3-(methylamino)propanamide?
N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 309.38 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119892357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).