N-(diaminomethylidene)-2-[2-(2-methyl-5-propan-2-ylphenyl)phenyl]acetamide

C19H23N3O — CID 123850419

IUPACN-(diaminomethylidene)-2-[2-(2-methyl-5-propan-2-ylphenyl)phenyl]acetamide
SMILESCc1ccc(C(C)C)cc1-c1ccccc1CC(=O)N=C(N)N
InChIInChI=1S/C19H23N3O/c1-12(2)14-9-8-13(3)17(10-14)16-7-5-4-6-15(16)11-18(23)22-19(20)21/h4-10,12H,11H2,1-3H3,(H4,20,21,22,23)
InChIKeyDWKFRBJWSIXQJP-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.13
Rot. Bonds4

About N-(diaminomethylidene)-2-[2-(2-methyl-5-propan-2-ylphenyl)phenyl]acetamide

N-(diaminomethylidene)-2-[2-(2-methyl-5-propan-2-ylphenyl)phenyl]acetamide (PubChem CID 123850419) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-[2-(2-methyl-5-propan-2-ylphenyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-[2-(2-methyl-5-propan-2-ylphenyl)phenyl]acetamide
PubChem CID123850419
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-(diaminomethylidene)-2-[2-(2-methyl-5-propan-2-ylphenyl)phenyl]acetamide
SMILESCc1ccc(C(C)C)cc1-c1ccccc1CC(=O)N=C(N)N
InChIInChI=1S/C19H23N3O/c1-12(2)14-9-8-13(3)17(10-14)16-7-5-4-6-15(16)11-18(23)22-19(20)21/h4-10,12H,11H2,1-3H3,(H4,20,21,22,23)
InChIKeyDWKFRBJWSIXQJP-UHFFFAOYSA-N
XLogP3.13
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(2-methyl-5-propan-2-ylphenyl)phenyl]acetamide?
The IUPAC name of N-(diaminomethylidene)-2-[2-(2-methyl-5-propan-2-ylphenyl)phenyl]acetamide (CID 123850419) is N-(diaminomethylidene)-2-[2-(2-methyl-5-propan-2-ylphenyl)phenyl]acetamide.
What is the SMILES notation for N-(diaminomethylidene)-2-[2-(2-methyl-5-propan-2-ylphenyl)phenyl]acetamide?
The canonical SMILES for N-(diaminomethylidene)-2-[2-(2-methyl-5-propan-2-ylphenyl)phenyl]acetamide is Cc1ccc(C(C)C)cc1-c1ccccc1CC(=O)N=C(N)N.
What is the InChIKey of N-(diaminomethylidene)-2-[2-(2-methyl-5-propan-2-ylphenyl)phenyl]acetamide?
The InChIKey is DWKFRBJWSIXQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-12(2)14-9-8-13(3)17(10-14)16-7-5-4-6-15(16)11-18(23)22-19(20)21/h4-10,12H,11H2,1-3H3,(H4,20,21,22,23).
What are the key properties of N-(diaminomethylidene)-2-[2-(2-methyl-5-propan-2-ylphenyl)phenyl]acetamide?
N-(diaminomethylidene)-2-[2-(2-methyl-5-propan-2-ylphenyl)phenyl]acetamide has a molecular weight of 309.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-[2-(2-methyl-5-propan-2-ylphenyl)phenyl]acetamide is sourced from PubChem (CID 123850419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).