acetic acid;2-[4-(2-aminoethoxy)phenyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide

C20H31N3O6 — CID 154905942

IUPACacetic acid;2-[4-(2-aminoethoxy)phenyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide
SMILESCC(=O)O.NCCOc1ccc(CC(=O)N[C@H]2COC[C@@H]2N2CCOCC2)cc1
InChIInChI=1S/C18H27N3O4.C2H4O2/c19-5-8-25-15-3-1-14(2-4-15)11-18(22)20-16-12-24-13-17(16)21-6-9-23-10-7-21;1-2(3)4/h1-4,16-17H,5-13,19H2,(H,20,22);1H3,(H,3,4)/t16-,17-;/m0./s1
InChIKeyFLKTXMMPDLZELT-QJHJCNPRSA-N
MW409.48 g/mol
LogP-0.13
Rot. Bonds7

About acetic acid;2-[4-(2-aminoethoxy)phenyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide

acetic acid;2-[4-(2-aminoethoxy)phenyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide (PubChem CID 154905942) has the molecular formula C20H31N3O6 and a molecular weight of 409.48 g/mol. Its IUPAC name is acetic acid;2-[4-(2-aminoethoxy)phenyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide.

Molecular Properties

Compound Nameacetic acid;2-[4-(2-aminoethoxy)phenyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide
PubChem CID154905942
Molecular FormulaC20H31N3O6
Molecular Weight409.48 g/mol
Exact Mass409.22
IUPAC Nameacetic acid;2-[4-(2-aminoethoxy)phenyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide
SMILESCC(=O)O.NCCOc1ccc(CC(=O)N[C@H]2COC[C@@H]2N2CCOCC2)cc1
InChIInChI=1S/C18H27N3O4.C2H4O2/c19-5-8-25-15-3-1-14(2-4-15)11-18(22)20-16-12-24-13-17(16)21-6-9-23-10-7-21;1-2(3)4/h1-4,16-17H,5-13,19H2,(H,20,22);1H3,(H,3,4)/t16-,17-;/m0./s1
InChIKeyFLKTXMMPDLZELT-QJHJCNPRSA-N
XLogP-0.13
TPSA123.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]-2-(4-phenylphenyl)acetamide
CID 133265705
3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide
CID 91788231
acetic acid;4-(2-aminoethoxy)-3-methoxy-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 154903690
3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 119070601
2-(2-hydroxyphenoxy)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide
CID 122561904
N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-(4-propanoylphenoxy)acetamide
CID 133139049
N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 91792898
2-[(2-chlorophenyl)methylsulfanyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide
CID 122560536
2-(1,3-benzodioxol-5-yl)-N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 133266993
5-methyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyrazine-2-carboxamide
CID 91787977
2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid
CID 22241707
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110154641

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[4-(2-aminoethoxy)phenyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide?
The IUPAC name of acetic acid;2-[4-(2-aminoethoxy)phenyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide (CID 154905942) is acetic acid;2-[4-(2-aminoethoxy)phenyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide.
What is the SMILES notation for acetic acid;2-[4-(2-aminoethoxy)phenyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide?
The canonical SMILES for acetic acid;2-[4-(2-aminoethoxy)phenyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide is CC(=O)O.NCCOc1ccc(CC(=O)N[C@H]2COC[C@@H]2N2CCOCC2)cc1.
What is the InChIKey of acetic acid;2-[4-(2-aminoethoxy)phenyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide?
The InChIKey is FLKTXMMPDLZELT-QJHJCNPRSA-N. The full InChI is InChI=1S/C18H27N3O4.C2H4O2/c19-5-8-25-15-3-1-14(2-4-15)11-18(22)20-16-12-24-13-17(16)21-6-9-23-10-7-21;1-2(3)4/h1-4,16-17H,5-13,19H2,(H,20,22);1H3,(H,3,4)/t16-,17-;/m0./s1.
What are the key properties of acetic acid;2-[4-(2-aminoethoxy)phenyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide?
acetic acid;2-[4-(2-aminoethoxy)phenyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide has a molecular weight of 409.48 g/mol, XLogP of -0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[4-(2-aminoethoxy)phenyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide is sourced from PubChem (CID 154905942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).