6-tert-butyl-2-(methylcarbamoylamino)-4-oxochromene-3-carboxamide

C16H19N3O4 — CID 14151544

IUPAC6-tert-butyl-2-(methylcarbamoylamino)-4-oxochromene-3-carboxamide
SMILESCNC(=O)Nc1oc2ccc(C(C)(C)C)cc2c(=O)c1C(N)=O
InChIInChI=1S/C16H19N3O4/c1-16(2,3)8-5-6-10-9(7-8)12(20)11(13(17)21)14(23-10)19-15(22)18-4/h5-7H,1-4H3,(H2,17,21)(H2,18,19,22)
InChIKeyDHBZEIWPDQGTLM-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.94
Rot. Bonds2

About 6-tert-butyl-2-(methylcarbamoylamino)-4-oxochromene-3-carboxamide

6-tert-butyl-2-(methylcarbamoylamino)-4-oxochromene-3-carboxamide (PubChem CID 14151544) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 6-tert-butyl-2-(methylcarbamoylamino)-4-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-2-(methylcarbamoylamino)-4-oxochromene-3-carboxamide
PubChem CID14151544
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name6-tert-butyl-2-(methylcarbamoylamino)-4-oxochromene-3-carboxamide
SMILESCNC(=O)Nc1oc2ccc(C(C)(C)C)cc2c(=O)c1C(N)=O
InChIInChI=1S/C16H19N3O4/c1-16(2,3)8-5-6-10-9(7-8)12(20)11(13(17)21)14(23-10)19-15(22)18-4/h5-7H,1-4H3,(H2,17,21)(H2,18,19,22)
InChIKeyDHBZEIWPDQGTLM-UHFFFAOYSA-N
XLogP1.94
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(methylcarbamoylamino)-4-oxochromene-3-carboxamide?
The IUPAC name of 6-tert-butyl-2-(methylcarbamoylamino)-4-oxochromene-3-carboxamide (CID 14151544) is 6-tert-butyl-2-(methylcarbamoylamino)-4-oxochromene-3-carboxamide.
What is the SMILES notation for 6-tert-butyl-2-(methylcarbamoylamino)-4-oxochromene-3-carboxamide?
The canonical SMILES for 6-tert-butyl-2-(methylcarbamoylamino)-4-oxochromene-3-carboxamide is CNC(=O)Nc1oc2ccc(C(C)(C)C)cc2c(=O)c1C(N)=O.
What is the InChIKey of 6-tert-butyl-2-(methylcarbamoylamino)-4-oxochromene-3-carboxamide?
The InChIKey is DHBZEIWPDQGTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-16(2,3)8-5-6-10-9(7-8)12(20)11(13(17)21)14(23-10)19-15(22)18-4/h5-7H,1-4H3,(H2,17,21)(H2,18,19,22).
What are the key properties of 6-tert-butyl-2-(methylcarbamoylamino)-4-oxochromene-3-carboxamide?
6-tert-butyl-2-(methylcarbamoylamino)-4-oxochromene-3-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 1.94, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(methylcarbamoylamino)-4-oxochromene-3-carboxamide is sourced from PubChem (CID 14151544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).