N-(diaminomethylidene)-2,2-dimethyl-4-phenylchromene-6-carboxamide

C19H19N3O2 — CID 58406678

IUPACN-(diaminomethylidene)-2,2-dimethyl-4-phenylchromene-6-carboxamide
SMILESCC1(C)C=C(c2ccccc2)c2cc(C(=O)N=C(N)N)ccc2O1
InChIInChI=1S/C19H19N3O2/c1-19(2)11-15(12-6-4-3-5-7-12)14-10-13(8-9-16(14)24-19)17(23)22-18(20)21/h3-11H,1-2H3,(H4,20,21,22,23)
InChIKeyVHIFCMFJIJHPFP-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.70
Rot. Bonds2

About N-(diaminomethylidene)-2,2-dimethyl-4-phenylchromene-6-carboxamide

N-(diaminomethylidene)-2,2-dimethyl-4-phenylchromene-6-carboxamide (PubChem CID 58406678) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(diaminomethylidene)-2,2-dimethyl-4-phenylchromene-6-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2,2-dimethyl-4-phenylchromene-6-carboxamide
PubChem CID58406678
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(diaminomethylidene)-2,2-dimethyl-4-phenylchromene-6-carboxamide
SMILESCC1(C)C=C(c2ccccc2)c2cc(C(=O)N=C(N)N)ccc2O1
InChIInChI=1S/C19H19N3O2/c1-19(2)11-15(12-6-4-3-5-7-12)14-10-13(8-9-16(14)24-19)17(23)22-18(20)21/h3-11H,1-2H3,(H4,20,21,22,23)
InChIKeyVHIFCMFJIJHPFP-UHFFFAOYSA-N
XLogP2.70
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-4-phenylchromene-6-carboxamide?
The IUPAC name of N-(diaminomethylidene)-2,2-dimethyl-4-phenylchromene-6-carboxamide (CID 58406678) is N-(diaminomethylidene)-2,2-dimethyl-4-phenylchromene-6-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-2,2-dimethyl-4-phenylchromene-6-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-2,2-dimethyl-4-phenylchromene-6-carboxamide is CC1(C)C=C(c2ccccc2)c2cc(C(=O)N=C(N)N)ccc2O1.
What is the InChIKey of N-(diaminomethylidene)-2,2-dimethyl-4-phenylchromene-6-carboxamide?
The InChIKey is VHIFCMFJIJHPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-19(2)11-15(12-6-4-3-5-7-12)14-10-13(8-9-16(14)24-19)17(23)22-18(20)21/h3-11H,1-2H3,(H4,20,21,22,23).
What are the key properties of N-(diaminomethylidene)-2,2-dimethyl-4-phenylchromene-6-carboxamide?
N-(diaminomethylidene)-2,2-dimethyl-4-phenylchromene-6-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2,2-dimethyl-4-phenylchromene-6-carboxamide is sourced from PubChem (CID 58406678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).