N-[2-(diaminomethylideneamino)ethyl]-4-methoxybenzamide;hydroiodide

C11H17IN4O2 — CID 110918638

IUPACN-[2-(diaminomethylideneamino)ethyl]-4-methoxybenzamide;hydroiodide
SMILESCOc1ccc(C(=O)NCCN=C(N)N)cc1.I
InChIInChI=1S/C11H16N4O2.HI/c1-17-9-4-2-8(3-5-9)10(16)14-6-7-15-11(12)13;/h2-5H,6-7H2,1H3,(H,14,16)(H4,12,13,15);1H
InChIKeyWEMZFFDTDXYEES-UHFFFAOYSA-N
MW364.19 g/mol
LogP0.32
Rot. Bonds5

About N-[2-(diaminomethylideneamino)ethyl]-4-methoxybenzamide;hydroiodide

N-[2-(diaminomethylideneamino)ethyl]-4-methoxybenzamide;hydroiodide (PubChem CID 110918638) has the molecular formula C11H17IN4O2 and a molecular weight of 364.19 g/mol. Its IUPAC name is N-[2-(diaminomethylideneamino)ethyl]-4-methoxybenzamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(diaminomethylideneamino)ethyl]-4-methoxybenzamide;hydroiodide
PubChem CID110918638
Molecular FormulaC11H17IN4O2
Molecular Weight364.19 g/mol
Exact Mass364.04
IUPAC NameN-[2-(diaminomethylideneamino)ethyl]-4-methoxybenzamide;hydroiodide
SMILESCOc1ccc(C(=O)NCCN=C(N)N)cc1.I
InChIInChI=1S/C11H16N4O2.HI/c1-17-9-4-2-8(3-5-9)10(16)14-6-7-15-11(12)13;/h2-5H,6-7H2,1H3,(H,14,16)(H4,12,13,15);1H
InChIKeyWEMZFFDTDXYEES-UHFFFAOYSA-N
XLogP0.32
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide;hydrochloride
CID 174646948
N-[2-[bis(ethylamino)methylideneamino]ethyl]-4-methoxybenzamide
CID 110918641
N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111055676
N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111125900
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111055724
4-methoxy-N-[(E)-pent-3-enyl]benzamide
CID 115628167
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium
CID 7458489
4-methoxy-N-pentylbenzamide
CID 3113360

Frequently Asked Questions

What is the IUPAC name of N-[2-(diaminomethylideneamino)ethyl]-4-methoxybenzamide;hydroiodide?
The IUPAC name of N-[2-(diaminomethylideneamino)ethyl]-4-methoxybenzamide;hydroiodide (CID 110918638) is N-[2-(diaminomethylideneamino)ethyl]-4-methoxybenzamide;hydroiodide.
What is the SMILES notation for N-[2-(diaminomethylideneamino)ethyl]-4-methoxybenzamide;hydroiodide?
The canonical SMILES for N-[2-(diaminomethylideneamino)ethyl]-4-methoxybenzamide;hydroiodide is COc1ccc(C(=O)NCCN=C(N)N)cc1.I.
What is the InChIKey of N-[2-(diaminomethylideneamino)ethyl]-4-methoxybenzamide;hydroiodide?
The InChIKey is WEMZFFDTDXYEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2.HI/c1-17-9-4-2-8(3-5-9)10(16)14-6-7-15-11(12)13;/h2-5H,6-7H2,1H3,(H,14,16)(H4,12,13,15);1H.
What are the key properties of N-[2-(diaminomethylideneamino)ethyl]-4-methoxybenzamide;hydroiodide?
N-[2-(diaminomethylideneamino)ethyl]-4-methoxybenzamide;hydroiodide has a molecular weight of 364.19 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diaminomethylideneamino)ethyl]-4-methoxybenzamide;hydroiodide is sourced from PubChem (CID 110918638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).