1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea

C15H19N3O3 — CID 6471934

IUPAC1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea
SMILESCCNc1c(NC(=O)NC(C)C)c(=O)oc2ccccc12
InChIInChI=1S/C15H19N3O3/c1-4-16-12-10-7-5-6-8-11(10)21-14(19)13(12)18-15(20)17-9(2)3/h5-9,16H,4H2,1-3H3,(H2,17,18,20)
InChIKeyASQNLNKIGYYARS-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.75
Rot. Bonds4

About 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea

1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea (PubChem CID 6471934) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea
PubChem CID6471934
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea
SMILESCCNc1c(NC(=O)NC(C)C)c(=O)oc2ccccc12
InChIInChI=1S/C15H19N3O3/c1-4-16-12-10-7-5-6-8-11(10)21-14(19)13(12)18-15(20)17-9(2)3/h5-9,16H,4H2,1-3H3,(H2,17,18,20)
InChIKeyASQNLNKIGYYARS-UHFFFAOYSA-N
XLogP2.75
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-propan-2-ylurea?
The IUPAC name of 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea (CID 6471934) is 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea is CCNc1c(NC(=O)NC(C)C)c(=O)oc2ccccc12.
What is the InChIKey of 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea?
The InChIKey is ASQNLNKIGYYARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-16-12-10-7-5-6-8-11(10)21-14(19)13(12)18-15(20)17-9(2)3/h5-9,16H,4H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea?
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea has a molecular weight of 289.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea is sourced from PubChem (CID 6471934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).