N-(diaminomethylidene)-2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazine-7-carboxamide

C15H20N4O3 — CID 10733303

IUPACN-(diaminomethylidene)-2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazine-7-carboxamide
SMILESCC(C)N1C(=O)C(C)(C)Oc2cc(C(=O)N=C(N)N)ccc21
InChIInChI=1S/C15H20N4O3/c1-8(2)19-10-6-5-9(12(20)18-14(16)17)7-11(10)22-15(3,4)13(19)21/h5-8H,1-4H3,(H4,16,17,18,20)
InChIKeyAQPTZNLNQRONOP-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.01
Rot. Bonds2

About N-(diaminomethylidene)-2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazine-7-carboxamide

N-(diaminomethylidene)-2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazine-7-carboxamide (PubChem CID 10733303) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(diaminomethylidene)-2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazine-7-carboxamide
PubChem CID10733303
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-(diaminomethylidene)-2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazine-7-carboxamide
SMILESCC(C)N1C(=O)C(C)(C)Oc2cc(C(=O)N=C(N)N)ccc21
InChIInChI=1S/C15H20N4O3/c1-8(2)19-10-6-5-9(12(20)18-14(16)17)7-11(10)22-15(3,4)13(19)21/h5-8H,1-4H3,(H4,16,17,18,20)
InChIKeyAQPTZNLNQRONOP-UHFFFAOYSA-N
XLogP1.01
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-(diaminomethylidene)-2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazine-7-carboxamide (CID 10733303) is N-(diaminomethylidene)-2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazine-7-carboxamide is CC(C)N1C(=O)C(C)(C)Oc2cc(C(=O)N=C(N)N)ccc21.
What is the InChIKey of N-(diaminomethylidene)-2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazine-7-carboxamide?
The InChIKey is AQPTZNLNQRONOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-8(2)19-10-6-5-9(12(20)18-14(16)17)7-11(10)22-15(3,4)13(19)21/h5-8H,1-4H3,(H4,16,17,18,20).
What are the key properties of N-(diaminomethylidene)-2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazine-7-carboxamide?
N-(diaminomethylidene)-2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazine-7-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 10733303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).