N-(diaminomethylidene)-2-propan-2-yloxynaphthalene-1-carboxamide;hydrochloride

C15H18ClN3O2 — CID 22447285

IUPACN-(diaminomethylidene)-2-propan-2-yloxynaphthalene-1-carboxamide;hydrochloride
SMILESCC(C)Oc1ccc2ccccc2c1C(=O)N=C(N)N.Cl
InChIInChI=1S/C15H17N3O2.ClH/c1-9(2)20-12-8-7-10-5-3-4-6-11(10)13(12)14(19)18-15(16)17;/h3-9H,1-2H3,(H4,16,17,18,19);1H
InChIKeyHZTUZXFTMOMPTB-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.46
Rot. Bonds3

About N-(diaminomethylidene)-2-propan-2-yloxynaphthalene-1-carboxamide;hydrochloride

N-(diaminomethylidene)-2-propan-2-yloxynaphthalene-1-carboxamide;hydrochloride (PubChem CID 22447285) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-propan-2-yloxynaphthalene-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-propan-2-yloxynaphthalene-1-carboxamide;hydrochloride
PubChem CID22447285
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-(diaminomethylidene)-2-propan-2-yloxynaphthalene-1-carboxamide;hydrochloride
SMILESCC(C)Oc1ccc2ccccc2c1C(=O)N=C(N)N.Cl
InChIInChI=1S/C15H17N3O2.ClH/c1-9(2)20-12-8-7-10-5-3-4-6-11(10)13(12)14(19)18-15(16)17;/h3-9H,1-2H3,(H4,16,17,18,19);1H
InChIKeyHZTUZXFTMOMPTB-UHFFFAOYSA-N
XLogP2.46
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.46
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-propan-2-yloxynaphthalene-1-carboxamide;hydrochloride 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)-2-hydroxynaphthalene-1-carboxamide;hydrate;hydrochloride
CID 22447281
2-propan-2-yloxynaphthalen-1-ol
CID 23272530
4-chloro-1-(2-propan-2-yloxynaphthalen-1-yl)butan-1-one
CID 82263061
(Z)-2-cyano-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enamide
CID 958381
(2-propan-2-yloxynaphthalen-1-yl)boronic acid
CID 54911254
ethyl 2-benzhydryloxynaphthalene-1-carboxylate
CID 134961368
trifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide
CID 63677449
methyl (E)-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enoate
CID 10635746
methyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate
CID 60780634
[amino-(2-methoxynaphthalen-1-yl)methylidene]azanium
CID 6347163
1-propan-2-yloxyperylene
CID 57281730
1-(1-propan-2-yloxynaphthalen-2-yl)ethanol
CID 43504390

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-propan-2-yloxynaphthalene-1-carboxamide;hydrochloride?
The IUPAC name of N-(diaminomethylidene)-2-propan-2-yloxynaphthalene-1-carboxamide;hydrochloride (CID 22447285) is N-(diaminomethylidene)-2-propan-2-yloxynaphthalene-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)-2-propan-2-yloxynaphthalene-1-carboxamide;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)-2-propan-2-yloxynaphthalene-1-carboxamide;hydrochloride is CC(C)Oc1ccc2ccccc2c1C(=O)N=C(N)N.Cl.
What is the InChIKey of N-(diaminomethylidene)-2-propan-2-yloxynaphthalene-1-carboxamide;hydrochloride?
The InChIKey is HZTUZXFTMOMPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2.ClH/c1-9(2)20-12-8-7-10-5-3-4-6-11(10)13(12)14(19)18-15(16)17;/h3-9H,1-2H3,(H4,16,17,18,19);1H.
What are the key properties of N-(diaminomethylidene)-2-propan-2-yloxynaphthalene-1-carboxamide;hydrochloride?
N-(diaminomethylidene)-2-propan-2-yloxynaphthalene-1-carboxamide;hydrochloride has a molecular weight of 307.78 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-propan-2-yloxynaphthalene-1-carboxamide;hydrochloride is sourced from PubChem (CID 22447285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).