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

C17H25NO3 — CID 64539071

IUPACethyl 2-[4-(diethylamino)-2,3-dihydrochromen-4-yl]acetate
SMILESCCOC(=O)CC1(N(CC)CC)CCOc2ccccc21
InChIInChI=1S/C17H25NO3/c1-4-18(5-2)17(13-16(19)20-6-3)11-12-21-15-10-8-7-9-14(15)17/h7-10H,4-6,11-13H2,1-3H3
InChIKeyJAMUTYVDZMSFIN-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.96
Rot. Bonds6

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

ethyl 2-[4-(diethylamino)-2,3-dihydrochromen-4-yl]acetate (PubChem CID 64539071) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 2-[4-(diethylamino)-2,3-dihydrochromen-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(diethylamino)-2,3-dihydrochromen-4-yl]acetate
PubChem CID64539071
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl 2-[4-(diethylamino)-2,3-dihydrochromen-4-yl]acetate
SMILESCCOC(=O)CC1(N(CC)CC)CCOc2ccccc21
InChIInChI=1S/C17H25NO3/c1-4-18(5-2)17(13-16(19)20-6-3)11-12-21-15-10-8-7-9-14(15)17/h7-10H,4-6,11-13H2,1-3H3
InChIKeyJAMUTYVDZMSFIN-UHFFFAOYSA-N
XLogP2.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(diethylamino)-2,3-dihydrochromen-4-yl]acetate?
The IUPAC name of ethyl 2-[4-(diethylamino)-2,3-dihydrochromen-4-yl]acetate (CID 64539071) is ethyl 2-[4-(diethylamino)-2,3-dihydrochromen-4-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(diethylamino)-2,3-dihydrochromen-4-yl]acetate?
The canonical SMILES for ethyl 2-[4-(diethylamino)-2,3-dihydrochromen-4-yl]acetate is CCOC(=O)CC1(N(CC)CC)CCOc2ccccc21.
What is the InChIKey of ethyl 2-[4-(diethylamino)-2,3-dihydrochromen-4-yl]acetate?
The InChIKey is JAMUTYVDZMSFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-18(5-2)17(13-16(19)20-6-3)11-12-21-15-10-8-7-9-14(15)17/h7-10H,4-6,11-13H2,1-3H3.
What are the key properties of ethyl 2-[4-(diethylamino)-2,3-dihydrochromen-4-yl]acetate?
ethyl 2-[4-(diethylamino)-2,3-dihydrochromen-4-yl]acetate has a molecular weight of 291.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(diethylamino)-2,3-dihydrochromen-4-yl]acetate is sourced from PubChem (CID 64539071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).