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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(diaminomethylidene)-4-(2-methoxyphenyl)-2,2-dimethylchromene-6-carboxamide
CID 58406629
N-(diaminomethylidene)-4-phenylspiro[chromene-2,1'-cyclopentane]-6-carboxamide
CID 58407516
N-(diaminomethylidene)-4-phenyl-2H-chromene-6-carboxamide
CID 58407018
4-(2-hydroxyphenyl)-2,2-dimethylchromene-6-carboxylic acid
CID 58406905
N-(diaminomethylidene)-4-(3-phenylphenyl)-2H-chromene-6-carboxamide
CID 58406656
N-[3-(6-benzoyl-2,2-dimethylchromen-4-yl)phenyl]acetamide
CID 10572896
N-(diaminomethylidene)-1,1-dioxo-3-phenyl-1-benzothiophene-6-carboxamide;methyl 1,1-dioxo-3-phenyl-1-benzothiophene-6-carboxylate
CID 159018419
N-(diaminomethylidene)-4-(2-methoxyphenyl)-2H-chromene-6-carboxamide
CID 58407485
2,2-dimethyl-4-(2,3,4-trifluorophenyl)chromene-6-carboxylic acid
CID 58407323
N-(diaminomethylidene)-8-phenyl-7-propyl-5,6-dihydronaphthalene-2-carboxamide
CID 58406536
(9R)-N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide
CID 11701890
2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide
CID 14182564

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).