ethyl 2-[4-(propylamino)-2,3-dihydrochromen-4-yl]acetate

C16H23NO3 — CID 65235737

IUPACethyl 2-[4-(propylamino)-2,3-dihydrochromen-4-yl]acetate
SMILESCCCNC1(CC(=O)OCC)CCOc2ccccc21
InChIInChI=1S/C16H23NO3/c1-3-10-17-16(12-15(18)19-4-2)9-11-20-14-8-6-5-7-13(14)16/h5-8,17H,3-4,9-12H2,1-2H3
InChIKeyCWOKWXHVMRLXFS-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.62
Rot. Bonds6

About ethyl 2-[4-(propylamino)-2,3-dihydrochromen-4-yl]acetate

ethyl 2-[4-(propylamino)-2,3-dihydrochromen-4-yl]acetate (PubChem CID 65235737) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 2-[4-(propylamino)-2,3-dihydrochromen-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(propylamino)-2,3-dihydrochromen-4-yl]acetate
PubChem CID65235737
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 2-[4-(propylamino)-2,3-dihydrochromen-4-yl]acetate
SMILESCCCNC1(CC(=O)OCC)CCOc2ccccc21
InChIInChI=1S/C16H23NO3/c1-3-10-17-16(12-15(18)19-4-2)9-11-20-14-8-6-5-7-13(14)16/h5-8,17H,3-4,9-12H2,1-2H3
InChIKeyCWOKWXHVMRLXFS-UHFFFAOYSA-N
XLogP2.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(propylamino)-2,3-dihydrochromen-4-yl]acetate?
The IUPAC name of ethyl 2-[4-(propylamino)-2,3-dihydrochromen-4-yl]acetate (CID 65235737) is ethyl 2-[4-(propylamino)-2,3-dihydrochromen-4-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(propylamino)-2,3-dihydrochromen-4-yl]acetate?
The canonical SMILES for ethyl 2-[4-(propylamino)-2,3-dihydrochromen-4-yl]acetate is CCCNC1(CC(=O)OCC)CCOc2ccccc21.
What is the InChIKey of ethyl 2-[4-(propylamino)-2,3-dihydrochromen-4-yl]acetate?
The InChIKey is CWOKWXHVMRLXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-10-17-16(12-15(18)19-4-2)9-11-20-14-8-6-5-7-13(14)16/h5-8,17H,3-4,9-12H2,1-2H3.
What are the key properties of ethyl 2-[4-(propylamino)-2,3-dihydrochromen-4-yl]acetate?
ethyl 2-[4-(propylamino)-2,3-dihydrochromen-4-yl]acetate has a molecular weight of 277.36 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(propylamino)-2,3-dihydrochromen-4-yl]acetate is sourced from PubChem (CID 65235737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).