1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(2-methoxyethyl)urea

C15H19N3O4 — CID 35397166

IUPAC1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(2-methoxyethyl)urea
SMILESCCNc1c(NC(=O)NCCOC)c(=O)oc2ccccc12
InChIInChI=1S/C15H19N3O4/c1-3-16-12-10-6-4-5-7-11(10)22-14(19)13(12)18-15(20)17-8-9-21-2/h4-7,16H,3,8-9H2,1-2H3,(H2,17,18,20)
InChIKeyLHIKOYBWVSCZRB-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.99
Rot. Bonds6

About 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(2-methoxyethyl)urea

1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(2-methoxyethyl)urea (PubChem CID 35397166) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(2-methoxyethyl)urea
PubChem CID35397166
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(2-methoxyethyl)urea
SMILESCCNc1c(NC(=O)NCCOC)c(=O)oc2ccccc12
InChIInChI=1S/C15H19N3O4/c1-3-16-12-10-6-4-5-7-11(10)22-14(19)13(12)18-15(20)17-8-9-21-2/h4-7,16H,3,8-9H2,1-2H3,(H2,17,18,20)
InChIKeyLHIKOYBWVSCZRB-UHFFFAOYSA-N
XLogP1.99
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(2-methoxyethyl)urea (CID 35397166) is 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(2-methoxyethyl)urea is CCNc1c(NC(=O)NCCOC)c(=O)oc2ccccc12.
What is the InChIKey of 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(2-methoxyethyl)urea?
The InChIKey is LHIKOYBWVSCZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-3-16-12-10-6-4-5-7-11(10)22-14(19)13(12)18-15(20)17-8-9-21-2/h4-7,16H,3,8-9H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(2-methoxyethyl)urea?
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(2-methoxyethyl)urea has a molecular weight of 305.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 35397166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).