2-[2-methoxy-6-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]acetamide

C17H27N3O4 — CID 17053298

IUPAC2-[2-methoxy-6-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]acetamide
SMILESCOc1cccc(CNCCCN2CCOCC2)c1OCC(N)=O
InChIInChI=1S/C17H27N3O4/c1-22-15-5-2-4-14(17(15)24-13-16(18)21)12-19-6-3-7-20-8-10-23-11-9-20/h2,4-5,19H,3,6-13H2,1H3,(H2,18,21)
InChIKeyKFEJWDHMWROPGA-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.37
Rot. Bonds10

About 2-[2-methoxy-6-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]acetamide

2-[2-methoxy-6-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]acetamide (PubChem CID 17053298) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[2-methoxy-6-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-6-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]acetamide
PubChem CID17053298
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name2-[2-methoxy-6-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]acetamide
SMILESCOc1cccc(CNCCCN2CCOCC2)c1OCC(N)=O
InChIInChI=1S/C17H27N3O4/c1-22-15-5-2-4-14(17(15)24-13-16(18)21)12-19-6-3-7-20-8-10-23-11-9-20/h2,4-5,19H,3,6-13H2,1H3,(H2,18,21)
InChIKeyKFEJWDHMWROPGA-UHFFFAOYSA-N
XLogP0.37
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053127
N-tert-butyl-2-[2-methoxy-6-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide;dihydrochloride
CID 17053452
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 4722023
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17289346
3-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;dihydrochloride
CID 6457021
2-[2-methoxy-6-[[3-(1-methyltetrazol-5-yl)sulfanylpropylamino]methyl]phenoxy]acetamide
CID 17053377
2-[2-methoxy-6-[[3-(1-methyltetrazol-5-yl)sulfanylpropylamino]methyl]phenoxy]acetamide;hydrochloride
CID 17053376
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 104791505
N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902502
3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 2214046
2-[4-chloro-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide
CID 6471305
2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 806992

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-6-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-methoxy-6-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]acetamide (CID 17053298) is 2-[2-methoxy-6-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-methoxy-6-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-methoxy-6-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]acetamide is COc1cccc(CNCCCN2CCOCC2)c1OCC(N)=O.
What is the InChIKey of 2-[2-methoxy-6-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]acetamide?
The InChIKey is KFEJWDHMWROPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-22-15-5-2-4-14(17(15)24-13-16(18)21)12-19-6-3-7-20-8-10-23-11-9-20/h2,4-5,19H,3,6-13H2,1H3,(H2,18,21).
What are the key properties of 2-[2-methoxy-6-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]acetamide?
2-[2-methoxy-6-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]acetamide has a molecular weight of 337.42 g/mol, XLogP of 0.37, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-6-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 17053298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).