[1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 2-(2-methoxy-4-methylphenoxy)acetate

C22H25NO6 — CID 55526398

IUPAC[1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 2-(2-methoxy-4-methylphenoxy)acetate
SMILESCOc1cc(C)ccc1OCC(=O)OC(C)C(=O)NC1CCOc2ccccc21
InChIInChI=1S/C22H25NO6/c1-14-8-9-19(20(12-14)26-3)28-13-21(24)29-15(2)22(25)23-17-10-11-27-18-7-5-4-6-16(17)18/h4-9,12,15,17H,10-11,13H2,1-3H3,(H,23,25)
InChIKeyZIZSPXXGEDGJQG-UHFFFAOYSA-N
MW399.44 g/mol
LogP2.95
Rot. Bonds7

About [1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 2-(2-methoxy-4-methylphenoxy)acetate

[1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 2-(2-methoxy-4-methylphenoxy)acetate (PubChem CID 55526398) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 2-(2-methoxy-4-methylphenoxy)acetate.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 2-(2-methoxy-4-methylphenoxy)acetate
PubChem CID55526398
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Name[1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 2-(2-methoxy-4-methylphenoxy)acetate
SMILESCOc1cc(C)ccc1OCC(=O)OC(C)C(=O)NC1CCOc2ccccc21
InChIInChI=1S/C22H25NO6/c1-14-8-9-19(20(12-14)26-3)28-13-21(24)29-15(2)22(25)23-17-10-11-27-18-7-5-4-6-16(17)18/h4-9,12,15,17H,10-11,13H2,1-3H3,(H,23,25)
InChIKeyZIZSPXXGEDGJQG-UHFFFAOYSA-N
XLogP2.95
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 2-(2-methoxy-4-methylphenoxy)acetate with MolForge

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Related Compounds

4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397810
[1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 2-naphthalen-2-ylacetate
CID 55526216
2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18196743
N-(3,4-dihydro-2H-chromen-4-yl)-2-(5-methyl-2-nitrophenoxy)acetamide
CID 46608472
[1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 4-(4-bromophenyl)-4-oxobutanoate
CID 55524308
2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734105
[(2R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 30442437
[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 30442448
[1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 55523858
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804136
N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
CID 18115323
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-phenylphenoxy)propanamide
CID 46421464

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 2-(2-methoxy-4-methylphenoxy)acetate?
The IUPAC name of [1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 2-(2-methoxy-4-methylphenoxy)acetate (CID 55526398) is [1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 2-(2-methoxy-4-methylphenoxy)acetate.
What is the SMILES notation for [1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 2-(2-methoxy-4-methylphenoxy)acetate?
The canonical SMILES for [1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 2-(2-methoxy-4-methylphenoxy)acetate is COc1cc(C)ccc1OCC(=O)OC(C)C(=O)NC1CCOc2ccccc21.
What is the InChIKey of [1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 2-(2-methoxy-4-methylphenoxy)acetate?
The InChIKey is ZIZSPXXGEDGJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO6/c1-14-8-9-19(20(12-14)26-3)28-13-21(24)29-15(2)22(25)23-17-10-11-27-18-7-5-4-6-16(17)18/h4-9,12,15,17H,10-11,13H2,1-3H3,(H,23,25).
What are the key properties of [1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 2-(2-methoxy-4-methylphenoxy)acetate?
[1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 2-(2-methoxy-4-methylphenoxy)acetate has a molecular weight of 399.44 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 2-(2-methoxy-4-methylphenoxy)acetate is sourced from PubChem (CID 55526398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).