3-(2-ethyl-2-methyl-4-oxo-3H-chromen-6-yl)-1,1-bis(2-hydroxyethyl)urea

C17H24N2O5 — CID 74239202

IUPAC3-(2-ethyl-2-methyl-4-oxo-3H-chromen-6-yl)-1,1-bis(2-hydroxyethyl)urea
SMILESCCC1(C)CC(=O)c2cc(NC(=O)N(CCO)CCO)ccc2O1
InChIInChI=1S/C17H24N2O5/c1-3-17(2)11-14(22)13-10-12(4-5-15(13)24-17)18-16(23)19(6-8-20)7-9-21/h4-5,10,20-21H,3,6-9,11H2,1-2H3,(H,18,23)
InChIKeyAEHFAMPZRDLERG-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.64
Rot. Bonds6

About 3-(2-ethyl-2-methyl-4-oxo-3H-chromen-6-yl)-1,1-bis(2-hydroxyethyl)urea

3-(2-ethyl-2-methyl-4-oxo-3H-chromen-6-yl)-1,1-bis(2-hydroxyethyl)urea (PubChem CID 74239202) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-(2-ethyl-2-methyl-4-oxo-3H-chromen-6-yl)-1,1-bis(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-(2-ethyl-2-methyl-4-oxo-3H-chromen-6-yl)-1,1-bis(2-hydroxyethyl)urea
PubChem CID74239202
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name3-(2-ethyl-2-methyl-4-oxo-3H-chromen-6-yl)-1,1-bis(2-hydroxyethyl)urea
SMILESCCC1(C)CC(=O)c2cc(NC(=O)N(CCO)CCO)ccc2O1
InChIInChI=1S/C17H24N2O5/c1-3-17(2)11-14(22)13-10-12(4-5-15(13)24-17)18-16(23)19(6-8-20)7-9-21/h4-5,10,20-21H,3,6-9,11H2,1-2H3,(H,18,23)
InChIKeyAEHFAMPZRDLERG-UHFFFAOYSA-N
XLogP1.64
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-2-methyl-4-oxo-3H-chromen-6-yl)-1,1-bis(2-hydroxyethyl)urea?
The IUPAC name of 3-(2-ethyl-2-methyl-4-oxo-3H-chromen-6-yl)-1,1-bis(2-hydroxyethyl)urea (CID 74239202) is 3-(2-ethyl-2-methyl-4-oxo-3H-chromen-6-yl)-1,1-bis(2-hydroxyethyl)urea.
What is the SMILES notation for 3-(2-ethyl-2-methyl-4-oxo-3H-chromen-6-yl)-1,1-bis(2-hydroxyethyl)urea?
The canonical SMILES for 3-(2-ethyl-2-methyl-4-oxo-3H-chromen-6-yl)-1,1-bis(2-hydroxyethyl)urea is CCC1(C)CC(=O)c2cc(NC(=O)N(CCO)CCO)ccc2O1.
What is the InChIKey of 3-(2-ethyl-2-methyl-4-oxo-3H-chromen-6-yl)-1,1-bis(2-hydroxyethyl)urea?
The InChIKey is AEHFAMPZRDLERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-3-17(2)11-14(22)13-10-12(4-5-15(13)24-17)18-16(23)19(6-8-20)7-9-21/h4-5,10,20-21H,3,6-9,11H2,1-2H3,(H,18,23).
What are the key properties of 3-(2-ethyl-2-methyl-4-oxo-3H-chromen-6-yl)-1,1-bis(2-hydroxyethyl)urea?
3-(2-ethyl-2-methyl-4-oxo-3H-chromen-6-yl)-1,1-bis(2-hydroxyethyl)urea has a molecular weight of 336.39 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-2-methyl-4-oxo-3H-chromen-6-yl)-1,1-bis(2-hydroxyethyl)urea is sourced from PubChem (CID 74239202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).