4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid

C19H19NO6 — CID 45397810

IUPAC4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1OCC(=O)NC1CCOc2ccccc21
InChIInChI=1S/C19H19NO6/c1-24-17-10-12(19(22)23)6-7-16(17)26-11-18(21)20-14-8-9-25-15-5-3-2-4-13(14)15/h2-7,10,14H,8-9,11H2,1H3,(H,20,21)(H,22,23)
InChIKeyFTLWLWDHGYUUOJ-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.41
Rot. Bonds6

About 4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid

4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid (PubChem CID 45397810) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is 4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid
PubChem CID45397810
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1OCC(=O)NC1CCOc2ccccc21
InChIInChI=1S/C19H19NO6/c1-24-17-10-12(19(22)23)6-7-16(17)26-11-18(21)20-14-8-9-25-15-5-3-2-4-13(14)15/h2-7,10,14H,8-9,11H2,1H3,(H,20,21)(H,22,23)
InChIKeyFTLWLWDHGYUUOJ-UHFFFAOYSA-N
XLogP2.41
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 25417152
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 25417155
2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18196743
N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
CID 18115323
3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide
CID 8819799
2-(3-acetylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 17448836
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 46828754
2-(2,3-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46829045
[1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 55526398
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-methoxybenzamide
CID 26238768
N-(3,4-dihydro-2H-chromen-4-yl)-2-(5-methyl-2-nitrophenoxy)acetamide
CID 46608472
2-(5-bromo-2-methoxyanilino)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 86826326

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid?
The IUPAC name of 4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid (CID 45397810) is 4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid?
The canonical SMILES for 4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1OCC(=O)NC1CCOc2ccccc21.
What is the InChIKey of 4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid?
The InChIKey is FTLWLWDHGYUUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-24-17-10-12(19(22)23)6-7-16(17)26-11-18(21)20-14-8-9-25-15-5-3-2-4-13(14)15/h2-7,10,14H,8-9,11H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid?
4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid has a molecular weight of 357.36 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid is sourced from PubChem (CID 45397810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).