[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium

C15H22ClN2O4+ — CID 7248442

IUPAC[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESCOc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C15H21ClN2O4/c1-20-13-6-10(7-18-8-11-3-2-4-21-11)5-12(16)15(13)22-9-14(17)19/h5-6,11,18H,2-4,7-9H2,1H3,(H2,17,19)/p+1/t11-/m0/s1
InChIKeySJEIHSLCTBTFCQ-NSHDSACASA-O
MW329.80 g/mol
LogP0.46
Rot. Bonds8

About [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium

[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium (PubChem CID 7248442) has the molecular formula C15H22ClN2O4+ and a molecular weight of 329.80 g/mol. Its IUPAC name is [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium
PubChem CID7248442
Molecular FormulaC15H22ClN2O4+
Molecular Weight329.80 g/mol
Exact Mass329.13
IUPAC Name[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESCOc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C15H21ClN2O4/c1-20-13-6-10(7-18-8-11-3-2-4-21-11)5-12(16)15(13)22-9-14(17)19/h5-6,11,18H,2-4,7-9H2,1H3,(H2,17,19)/p+1/t11-/m0/s1
InChIKeySJEIHSLCTBTFCQ-NSHDSACASA-O
XLogP0.46
TPSA87.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.80
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium with MolForge

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Related Compounds

[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-methylazanium chloride
CID 44665968
[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(4-fluorophenyl)methyl]azanium
CID 7632298
2-[2-chloro-6-methoxy-4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 55494400
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]acetamide
CID 4720907
[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-(2-phenylethyl)azanium
CID 7632140
2-[2-chloro-4-[(cyclobutylmethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 43298481
2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]oxolane
CID 65162793
2-[4-[(3-aminoazetidin-1-yl)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 65244504
2-[4-[[azetidin-3-yl(methyl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 66186821
2-[2-chloro-6-methoxy-4-[[(1-methylcyclohexyl)amino]methyl]phenoxy]acetamide
CID 119113223
2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]morpholin-2-yl]acetic acid
CID 119247780
2-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-chloro-6-methoxyphenoxy]acetamide;hydrochloride
CID 120660894

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium?
The IUPAC name of [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium (CID 7248442) is [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium is COc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium?
The InChIKey is SJEIHSLCTBTFCQ-NSHDSACASA-O. The full InChI is InChI=1S/C15H21ClN2O4/c1-20-13-6-10(7-18-8-11-3-2-4-21-11)5-12(16)15(13)22-9-14(17)19/h5-6,11,18H,2-4,7-9H2,1H3,(H2,17,19)/p+1/t11-/m0/s1.
What are the key properties of [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium?
[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium has a molecular weight of 329.80 g/mol, XLogP of 0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 7248442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).