N-(diaminomethylidene)-8-phenyl-7-propyl-5,6-dihydronaphthalene-2-carboxamide

C21H23N3O — CID 58406536

IUPACN-(diaminomethylidene)-8-phenyl-7-propyl-5,6-dihydronaphthalene-2-carboxamide
SMILESCCCC1=C(c2ccccc2)c2cc(C(=O)N=C(N)N)ccc2CC1
InChIInChI=1S/C21H23N3O/c1-2-6-15-11-9-14-10-12-17(20(25)24-21(22)23)13-18(14)19(15)16-7-4-3-5-8-16/h3-5,7-8,10,12-13H,2,6,9,11H2,1H3,(H4,22,23,24,25)
InChIKeyKKAKVPAABBAPLY-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.65
Rot. Bonds4

About N-(diaminomethylidene)-8-phenyl-7-propyl-5,6-dihydronaphthalene-2-carboxamide

N-(diaminomethylidene)-8-phenyl-7-propyl-5,6-dihydronaphthalene-2-carboxamide (PubChem CID 58406536) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(diaminomethylidene)-8-phenyl-7-propyl-5,6-dihydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-8-phenyl-7-propyl-5,6-dihydronaphthalene-2-carboxamide
PubChem CID58406536
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-(diaminomethylidene)-8-phenyl-7-propyl-5,6-dihydronaphthalene-2-carboxamide
SMILESCCCC1=C(c2ccccc2)c2cc(C(=O)N=C(N)N)ccc2CC1
InChIInChI=1S/C21H23N3O/c1-2-6-15-11-9-14-10-12-17(20(25)24-21(22)23)13-18(14)19(15)16-7-4-3-5-8-16/h3-5,7-8,10,12-13H,2,6,9,11H2,1H3,(H4,22,23,24,25)
InChIKeyKKAKVPAABBAPLY-UHFFFAOYSA-N
XLogP3.65
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.65
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)-8-phenyl-7-propyl-5,6-dihydronaphthalene-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-8-phenyl-7-propyl-5,6-dihydronaphthalene-2-carboxamide (CID 58406536) is N-(diaminomethylidene)-8-phenyl-7-propyl-5,6-dihydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-8-phenyl-7-propyl-5,6-dihydronaphthalene-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-8-phenyl-7-propyl-5,6-dihydronaphthalene-2-carboxamide is CCCC1=C(c2ccccc2)c2cc(C(=O)N=C(N)N)ccc2CC1.
What is the InChIKey of N-(diaminomethylidene)-8-phenyl-7-propyl-5,6-dihydronaphthalene-2-carboxamide?
The InChIKey is KKAKVPAABBAPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-2-6-15-11-9-14-10-12-17(20(25)24-21(22)23)13-18(14)19(15)16-7-4-3-5-8-16/h3-5,7-8,10,12-13H,2,6,9,11H2,1H3,(H4,22,23,24,25).
What are the key properties of N-(diaminomethylidene)-8-phenyl-7-propyl-5,6-dihydronaphthalene-2-carboxamide?
N-(diaminomethylidene)-8-phenyl-7-propyl-5,6-dihydronaphthalene-2-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-8-phenyl-7-propyl-5,6-dihydronaphthalene-2-carboxamide is sourced from PubChem (CID 58406536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).