2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-3-methoxypropanamide;hydrochloride

C15H23ClF2N2O4 — CID 120992652

IUPAC2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-3-methoxypropanamide;hydrochloride
SMILESCCCOc1ccc(CNC(=O)C(N)COC)c(OC(F)F)c1.Cl
InChIInChI=1S/C15H22F2N2O4.ClH/c1-3-6-22-11-5-4-10(13(7-11)23-15(16)17)8-19-14(20)12(18)9-21-2;/h4-5,7,12,15H,3,6,8-9,18H2,1-2H3,(H,19,20);1H
InChIKeyHZSRDSLYZIAWKH-UHFFFAOYSA-N
MW368.81 g/mol
LogP2.09
Rot. Bonds10

About 2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-3-methoxypropanamide;hydrochloride

2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120992652) has the molecular formula C15H23ClF2N2O4 and a molecular weight of 368.81 g/mol. Its IUPAC name is 2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-3-methoxypropanamide;hydrochloride
PubChem CID120992652
Molecular FormulaC15H23ClF2N2O4
Molecular Weight368.81 g/mol
Exact Mass368.13
IUPAC Name2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-3-methoxypropanamide;hydrochloride
SMILESCCCOc1ccc(CNC(=O)C(N)COC)c(OC(F)F)c1.Cl
InChIInChI=1S/C15H22F2N2O4.ClH/c1-3-6-22-11-5-4-10(13(7-11)23-15(16)17)8-19-14(20)12(18)9-21-2;/h4-5,7,12,15H,3,6,8-9,18H2,1-2H3,(H,19,20);1H
InChIKeyHZSRDSLYZIAWKH-UHFFFAOYSA-N
XLogP2.09
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.81
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]propanamide;hydrochloride
CID 119338916
1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119338922
1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclopentane-1-carboxamide
CID 119338913
2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120991501
N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119810510
2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120992363
N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide
CID 119338921
2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide
CID 120992441
2-amino-3-methoxy-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 120988650
1-[[2-(difluoromethoxy)-4-propoxyphenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006625
2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992179
(2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119816353

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-3-methoxypropanamide;hydrochloride (CID 120992652) is 2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-3-methoxypropanamide;hydrochloride is CCCOc1ccc(CNC(=O)C(N)COC)c(OC(F)F)c1.Cl.
What is the InChIKey of 2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is HZSRDSLYZIAWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O4.ClH/c1-3-6-22-11-5-4-10(13(7-11)23-15(16)17)8-19-14(20)12(18)9-21-2;/h4-5,7,12,15H,3,6,8-9,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 368.81 g/mol, XLogP of 2.09, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120992652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).