(2R)-2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]propanamide;hydrochloride

C14H21ClF2N2O3 — CID 119338916

IUPAC(2R)-2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]propanamide;hydrochloride
SMILESCCCOc1ccc(CNC(=O)[C@@H](C)N)c(OC(F)F)c1.Cl
InChIInChI=1S/C14H20F2N2O3.ClH/c1-3-6-20-11-5-4-10(8-18-13(19)9(2)17)12(7-11)21-14(15)16;/h4-5,7,9,14H,3,6,8,17H2,1-2H3,(H,18,19);1H/t9-;/m1./s1
InChIKeyNKQWMSNJVQUUMP-SBSPUUFOSA-N
MW338.78 g/mol
LogP2.46
Rot. Bonds8

About (2R)-2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]propanamide;hydrochloride

(2R)-2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]propanamide;hydrochloride (PubChem CID 119338916) has the molecular formula C14H21ClF2N2O3 and a molecular weight of 338.78 g/mol. Its IUPAC name is (2R)-2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]propanamide;hydrochloride
PubChem CID119338916
Molecular FormulaC14H21ClF2N2O3
Molecular Weight338.78 g/mol
Exact Mass338.12
IUPAC Name(2R)-2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]propanamide;hydrochloride
SMILESCCCOc1ccc(CNC(=O)[C@@H](C)N)c(OC(F)F)c1.Cl
InChIInChI=1S/C14H20F2N2O3.ClH/c1-3-6-20-11-5-4-10(8-18-13(19)9(2)17)12(7-11)21-14(15)16;/h4-5,7,9,14H,3,6,8,17H2,1-2H3,(H,18,19);1H/t9-;/m1./s1
InChIKeyNKQWMSNJVQUUMP-SBSPUUFOSA-N
XLogP2.46
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.78
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992652
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
N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119810510
(2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119313626
N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide
CID 119338921
(2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide
CID 119340956
1-[[2-(difluoromethoxy)-4-propoxyphenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006625
3-[[[[[2-(difluoromethoxy)-4-propoxyphenyl]methylamino]-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 109451686
2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-prop-2-ynylpropanamide
CID 43472169
2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropylpropanamide
CID 43472100
2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]propanamide
CID 43402355

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]propanamide;hydrochloride (CID 119338916) is (2R)-2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]propanamide;hydrochloride is CCCOc1ccc(CNC(=O)[C@@H](C)N)c(OC(F)F)c1.Cl.
What is the InChIKey of (2R)-2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]propanamide;hydrochloride?
The InChIKey is NKQWMSNJVQUUMP-SBSPUUFOSA-N. The full InChI is InChI=1S/C14H20F2N2O3.ClH/c1-3-6-20-11-5-4-10(8-18-13(19)9(2)17)12(7-11)21-14(15)16;/h4-5,7,9,14H,3,6,8,17H2,1-2H3,(H,18,19);1H/t9-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]propanamide;hydrochloride?
(2R)-2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]propanamide;hydrochloride has a molecular weight of 338.78 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119338916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).