2-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pentanamide

C15H23FN2O3 — CID 119324653

IUPAC2-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pentanamide
SMILESCCCC(N)C(=O)NC(C)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C15H23FN2O3/c1-5-6-12(17)15(19)18-9(2)10-7-13(20-3)14(21-4)8-11(10)16/h7-9,12H,5-6,17H2,1-4H3,(H,18,19)
InChIKeyRTDSAAIEAUDTHQ-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.15
Rot. Bonds7

About 2-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pentanamide

2-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pentanamide (PubChem CID 119324653) has the molecular formula C15H23FN2O3 and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pentanamide
PubChem CID119324653
Molecular FormulaC15H23FN2O3
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC Name2-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pentanamide
SMILESCCCC(N)C(=O)NC(C)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C15H23FN2O3/c1-5-6-12(17)15(19)18-9(2)10-7-13(20-3)14(21-4)8-11(10)16/h7-9,12H,5-6,17H2,1-4H3,(H,18,19)
InChIKeyRTDSAAIEAUDTHQ-UHFFFAOYSA-N
XLogP2.15
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(2,5-difluorophenyl)ethyl]pentanamide
CID 43699624
2-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]pentanamide
CID 43703461
4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide
CID 119324659
(Z)-N-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylpent-2-enamide
CID 95967414
2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentanamide
CID 43713410
2,2,3,3-tetrafluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]propanamide
CID 122146702
1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119324647
3-[1-(2-fluoro-4,5-dimethoxyphenyl)ethylcarbamoyl-methylamino]propanoic acid
CID 122002190
1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119324657
(2S)-2-amino-N-[1-(2,5-difluorophenyl)ethyl]butanamide
CID 79025345
2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide
CID 119290626
methyl N-[1-[1-(2-fluoro-4,5-dimethoxyphenyl)ethylamino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 102557200

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pentanamide?
The IUPAC name of 2-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pentanamide (CID 119324653) is 2-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pentanamide.
What is the SMILES notation for 2-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pentanamide?
The canonical SMILES for 2-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pentanamide is CCCC(N)C(=O)NC(C)c1cc(OC)c(OC)cc1F.
What is the InChIKey of 2-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pentanamide?
The InChIKey is RTDSAAIEAUDTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3/c1-5-6-12(17)15(19)18-9(2)10-7-13(20-3)14(21-4)8-11(10)16/h7-9,12H,5-6,17H2,1-4H3,(H,18,19).
What are the key properties of 2-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pentanamide?
2-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pentanamide has a molecular weight of 298.36 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pentanamide is sourced from PubChem (CID 119324653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).