2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methoxypropanamide;hydrochloride

C13H20ClFN2O3 — CID 120991420

IUPAC2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCC(OC)c1ccc(F)cc1.Cl
InChIInChI=1S/C13H19FN2O3.ClH/c1-18-8-11(15)13(17)16-7-12(19-2)9-3-5-10(14)6-4-9;/h3-6,11-12H,7-8,15H2,1-2H3,(H,16,17);1H
InChIKeyVVLCIPGYEINCHY-UHFFFAOYSA-N
MW306.77 g/mol
LogP1.02
Rot. Bonds7

About 2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methoxypropanamide;hydrochloride

2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120991420) has the molecular formula C13H20ClFN2O3 and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methoxypropanamide;hydrochloride
PubChem CID120991420
Molecular FormulaC13H20ClFN2O3
Molecular Weight306.77 g/mol
Exact Mass306.11
IUPAC Name2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCC(OC)c1ccc(F)cc1.Cl
InChIInChI=1S/C13H19FN2O3.ClH/c1-18-8-11(15)13(17)16-7-12(19-2)9-3-5-10(14)6-4-9;/h3-6,11-12H,7-8,15H2,1-2H3,(H,16,17);1H
InChIKeyVVLCIPGYEINCHY-UHFFFAOYSA-N
XLogP1.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]-3-methoxypropanamide
CID 120990898
3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide
CID 120502200
2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methylpentanamide
CID 119817621
4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]pentanamide;hydrochloride
CID 120563946
(2S)-2-amino-N-(2-methoxy-2-phenylethyl)-4-methylpentanamide;hydrochloride
CID 119703944
4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]butanamide
CID 119343022
methyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-(4-methylphenyl)propanoate
CID 120989334
1-[2-(4-fluorophenyl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111509469
1-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119343019
2-amino-3-methoxy-N-(2-phenylpropyl)propanamide
CID 81089279
methyl 2-(4-fluorophenyl)-3-methoxypropanoate
CID 117245338
2-amino-N-(2-methoxy-2-phenylethyl)pentanamide
CID 119278905

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methoxypropanamide;hydrochloride (CID 120991420) is 2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)NCC(OC)c1ccc(F)cc1.Cl.
What is the InChIKey of 2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is VVLCIPGYEINCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3.ClH/c1-18-8-11(15)13(17)16-7-12(19-2)9-3-5-10(14)6-4-9;/h3-6,11-12H,7-8,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 306.77 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120991420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).