(2E)-2-(diaminomethylidenehydrazinylidene)-N-(4-ethylphenyl)acetamide

C11H15N5O — CID 45481384

IUPAC(2E)-2-(diaminomethylidenehydrazinylidene)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)/C=N/N=C(N)N)cc1
InChIInChI=1S/C11H15N5O/c1-2-8-3-5-9(6-4-8)15-10(17)7-14-16-11(12)13/h3-7H,2H2,1H3,(H,15,17)(H4,12,13,16)/b14-7+
InChIKeyCTHGMQQHUYPBLC-VGOFMYFVSA-N
MW233.28 g/mol
LogP0.45
Rot. Bonds4

About (2E)-2-(diaminomethylidenehydrazinylidene)-N-(4-ethylphenyl)acetamide

(2E)-2-(diaminomethylidenehydrazinylidene)-N-(4-ethylphenyl)acetamide (PubChem CID 45481384) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is (2E)-2-(diaminomethylidenehydrazinylidene)-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name(2E)-2-(diaminomethylidenehydrazinylidene)-N-(4-ethylphenyl)acetamide
PubChem CID45481384
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name(2E)-2-(diaminomethylidenehydrazinylidene)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)/C=N/N=C(N)N)cc1
InChIInChI=1S/C11H15N5O/c1-2-8-3-5-9(6-4-8)15-10(17)7-14-16-11(12)13/h3-7H,2H2,1H3,(H,15,17)(H4,12,13,16)/b14-7+
InChIKeyCTHGMQQHUYPBLC-VGOFMYFVSA-N
XLogP0.45
TPSA105.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N-(4-chlorophenyl)-2-(diaminomethylidenehydrazinylidene)acetamide
CID 44531277
(2E)-2-(diaminomethylidenehydrazinylidene)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 45480867
2-[(E)-(4-ethylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880634
ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]acetate
CID 124673407
N-(4-butylphenyl)-2-hydroxyiminoacetamide
CID 53405867
1-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-methylurea
CID 89220020
1-(4-ethylphenyl)-3-methylurea
CID 54250791
N-(4-ethylphenyl)benzamide
CID 774063
N-(4-ethylphenyl)-3,3-dimethyl-2-oxobutanamide
CID 51058469
(E)-2-N-(4-ethylphenyl)-3-methyliminoprop-1-ene-1,2-diamine
CID 178169838
1-ethyl-3-(4-ethylphenyl)urea
CID 20721116
ethane;1-(4-ethylphenyl)-3-methylurea
CID 143679761

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(diaminomethylidenehydrazinylidene)-N-(4-ethylphenyl)acetamide?
The IUPAC name of (2E)-2-(diaminomethylidenehydrazinylidene)-N-(4-ethylphenyl)acetamide (CID 45481384) is (2E)-2-(diaminomethylidenehydrazinylidene)-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for (2E)-2-(diaminomethylidenehydrazinylidene)-N-(4-ethylphenyl)acetamide?
The canonical SMILES for (2E)-2-(diaminomethylidenehydrazinylidene)-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)/C=N/N=C(N)N)cc1.
What is the InChIKey of (2E)-2-(diaminomethylidenehydrazinylidene)-N-(4-ethylphenyl)acetamide?
The InChIKey is CTHGMQQHUYPBLC-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H15N5O/c1-2-8-3-5-9(6-4-8)15-10(17)7-14-16-11(12)13/h3-7H,2H2,1H3,(H,15,17)(H4,12,13,16)/b14-7+.
What are the key properties of (2E)-2-(diaminomethylidenehydrazinylidene)-N-(4-ethylphenyl)acetamide?
(2E)-2-(diaminomethylidenehydrazinylidene)-N-(4-ethylphenyl)acetamide has a molecular weight of 233.28 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(diaminomethylidenehydrazinylidene)-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 45481384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).