2-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]-3-methoxypropanamide;hydrochloride

C14H20Cl2N2O5 — CID 120990557

IUPAC2-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCC(O)c1cc(Cl)c2c(c1)OCCO2.Cl
InChIInChI=1S/C14H19ClN2O5.ClH/c1-20-7-10(16)14(19)17-6-11(18)8-4-9(15)13-12(5-8)21-2-3-22-13;/h4-5,10-11,18H,2-3,6-7,16H2,1H3,(H,17,19);1H
InChIKeyPZYWIIVZVWKPKB-UHFFFAOYSA-N
MW367.23 g/mol
LogP0.66
Rot. Bonds6

About 2-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]-3-methoxypropanamide;hydrochloride

2-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120990557) has the molecular formula C14H20Cl2N2O5 and a molecular weight of 367.23 g/mol. Its IUPAC name is 2-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]-3-methoxypropanamide;hydrochloride
PubChem CID120990557
Molecular FormulaC14H20Cl2N2O5
Molecular Weight367.23 g/mol
Exact Mass366.07
IUPAC Name2-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCC(O)c1cc(Cl)c2c(c1)OCCO2.Cl
InChIInChI=1S/C14H19ClN2O5.ClH/c1-20-7-10(16)14(19)17-6-11(18)8-4-9(15)13-12(5-8)21-2-3-22-13;/h4-5,10-11,18H,2-3,6-7,16H2,1H3,(H,17,19);1H
InChIKeyPZYWIIVZVWKPKB-UHFFFAOYSA-N
XLogP0.66
TPSA103.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methoxypropanamide;hydrochloride
CID 120985752
4-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]butanamide;hydrochloride
CID 119332137
1-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119332133
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120635170
5-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]-2-methylbenzamide;hydrochloride
CID 120635163
3-(2-aminophenyl)-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]propanamide;hydrochloride
CID 120611152
ethyl 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetate
CID 62215193
cis-(1S,3R)-3-amino-N-[(2R)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide
CID 125134984
trans-(1R,3R)-3-amino-N-[(2S)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide
CID 124698972
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentan-1-ol
CID 65150991
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]morpholine-3-carboxamide
CID 119798531
ethyl (3S)-3-amino-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propanoate
CID 93294681

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]-3-methoxypropanamide;hydrochloride (CID 120990557) is 2-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)NCC(O)c1cc(Cl)c2c(c1)OCCO2.Cl.
What is the InChIKey of 2-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is PZYWIIVZVWKPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O5.ClH/c1-20-7-10(16)14(19)17-6-11(18)8-4-9(15)13-12(5-8)21-2-3-22-13;/h4-5,10-11,18H,2-3,6-7,16H2,1H3,(H,17,19);1H.
What are the key properties of 2-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 367.23 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120990557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).