N-[(E)-(1-amino-2-cyanoethylidene)amino]-4-methoxybenzamide

C11H12N4O2 — CID 10823456

IUPACN-[(E)-(1-amino-2-cyanoethylidene)amino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C(/N)CC#N)cc1
InChIInChI=1S/C11H12N4O2/c1-17-9-4-2-8(3-5-9)11(16)15-14-10(13)6-7-12/h2-5H,6H2,1H3,(H2,13,14)(H,15,16)
InChIKeyIHPYDWAMFMNBJG-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.61
Rot. Bonds4

About N-[(E)-(1-amino-2-cyanoethylidene)amino]-4-methoxybenzamide

N-[(E)-(1-amino-2-cyanoethylidene)amino]-4-methoxybenzamide (PubChem CID 10823456) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[(E)-(1-amino-2-cyanoethylidene)amino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(1-amino-2-cyanoethylidene)amino]-4-methoxybenzamide
PubChem CID10823456
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-[(E)-(1-amino-2-cyanoethylidene)amino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C(/N)CC#N)cc1
InChIInChI=1S/C11H12N4O2/c1-17-9-4-2-8(3-5-9)11(16)15-14-10(13)6-7-12/h2-5H,6H2,1H3,(H2,13,14)(H,15,16)
InChIKeyIHPYDWAMFMNBJG-UHFFFAOYSA-N
XLogP0.61
TPSA100.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (3Z)-3-[(4-methoxybenzoyl)hydrazinylidene]butanoate
CID 23268418
N-[2-[(2-cyanoacetyl)amino]ethyl]-4-methoxybenzamide
CID 108537249
4-methoxy-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 9359348
4-(cyanomethyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 82178795
N-carbamothioyl-4-methoxybenzamide
CID 14007083
N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 24839653
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea
CID 23274048
N-[(E)-(1-amino-2-methoxyethylidene)amino]benzamide
CID 91616878
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide
CID 155923428
N-[1-(4-methoxyphenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925777

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-amino-2-cyanoethylidene)amino]-4-methoxybenzamide?
The IUPAC name of N-[(E)-(1-amino-2-cyanoethylidene)amino]-4-methoxybenzamide (CID 10823456) is N-[(E)-(1-amino-2-cyanoethylidene)amino]-4-methoxybenzamide.
What is the SMILES notation for N-[(E)-(1-amino-2-cyanoethylidene)amino]-4-methoxybenzamide?
The canonical SMILES for N-[(E)-(1-amino-2-cyanoethylidene)amino]-4-methoxybenzamide is COc1ccc(C(=O)N/N=C(/N)CC#N)cc1.
What is the InChIKey of N-[(E)-(1-amino-2-cyanoethylidene)amino]-4-methoxybenzamide?
The InChIKey is IHPYDWAMFMNBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-17-9-4-2-8(3-5-9)11(16)15-14-10(13)6-7-12/h2-5H,6H2,1H3,(H2,13,14)(H,15,16).
What are the key properties of N-[(E)-(1-amino-2-cyanoethylidene)amino]-4-methoxybenzamide?
N-[(E)-(1-amino-2-cyanoethylidene)amino]-4-methoxybenzamide has a molecular weight of 232.24 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-amino-2-cyanoethylidene)amino]-4-methoxybenzamide is sourced from PubChem (CID 10823456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).