2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride

C14H23ClN2O4 — CID 17209258

IUPAC2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCOCCCNCc1ccc(OCC(N)=O)c(OC)c1.Cl
InChIInChI=1S/C14H22N2O4.ClH/c1-18-7-3-6-16-9-11-4-5-12(13(8-11)19-2)20-10-14(15)17;/h4-5,8,16H,3,6-7,9-10H2,1-2H3,(H2,15,17);1H
InChIKeyBQZIPIZJIQBKNM-UHFFFAOYSA-N
MW318.80 g/mol
LogP1.11
Rot. Bonds10

About 2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride

2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride (PubChem CID 17209258) has the molecular formula C14H23ClN2O4 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride
PubChem CID17209258
Molecular FormulaC14H23ClN2O4
Molecular Weight318.80 g/mol
Exact Mass318.13
IUPAC Name2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCOCCCNCc1ccc(OCC(N)=O)c(OC)c1.Cl
InChIInChI=1S/C14H22N2O4.ClH/c1-18-7-3-6-16-9-11-4-5-12(13(8-11)19-2)20-10-14(15)17;/h4-5,8,16H,3,6-7,9-10H2,1-2H3,(H2,15,17);1H
InChIKeyBQZIPIZJIQBKNM-UHFFFAOYSA-N
XLogP1.11
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride
CID 17289414
2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290875
3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]propanoic acid
CID 102536557
5-[(3,4-dimethoxyphenyl)methylamino]pentanamide
CID 106233498
2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide
CID 94074154
2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide
CID 56820860
2-[2-methoxy-4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenoxy]acetamide
CID 17207216
3-methoxy-N-[(3-methoxy-4-pentoxyphenyl)methyl]propan-1-amine
CID 54849470
2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide
CID 129301598
2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]acetamide;hydrochloride
CID 2997355
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
3-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 17206660

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride?
The IUPAC name of 2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride (CID 17209258) is 2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for 2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride?
The canonical SMILES for 2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride is COCCCNCc1ccc(OCC(N)=O)c(OC)c1.Cl.
What is the InChIKey of 2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride?
The InChIKey is BQZIPIZJIQBKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4.ClH/c1-18-7-3-6-16-9-11-4-5-12(13(8-11)19-2)20-10-14(15)17;/h4-5,8,16H,3,6-7,9-10H2,1-2H3,(H2,15,17);1H.
What are the key properties of 2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride?
2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride has a molecular weight of 318.80 g/mol, XLogP of 1.11, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 17209258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).