(E)-amino-[amino-[(2-anilino-2-phenylacetyl)amino]methylidene]azanium

C15H18N5O+ — CID 145363334

IUPAC(E)-amino-[amino-[(2-anilino-2-phenylacetyl)amino]methylidene]azanium
SMILESN/[NH+]=C(\N)NC(=O)C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C15H17N5O/c16-15(20-17)19-14(21)13(11-7-3-1-4-8-11)18-12-9-5-2-6-10-12/h1-10,13,18H,17H2,(H3,16,19,20,21)/p+1
InChIKeyBZFFZDFHSGXNDS-UHFFFAOYSA-O
MW284.34 g/mol
LogP-0.77
Rot. Bonds4

About (E)-amino-[amino-[(2-anilino-2-phenylacetyl)amino]methylidene]azanium

(E)-amino-[amino-[(2-anilino-2-phenylacetyl)amino]methylidene]azanium (PubChem CID 145363334) has the molecular formula C15H18N5O+ and a molecular weight of 284.34 g/mol. Its IUPAC name is (E)-amino-[amino-[(2-anilino-2-phenylacetyl)amino]methylidene]azanium.

Molecular Properties

Compound Name(E)-amino-[amino-[(2-anilino-2-phenylacetyl)amino]methylidene]azanium
PubChem CID145363334
Molecular FormulaC15H18N5O+
Molecular Weight284.34 g/mol
Exact Mass284.15
IUPAC Name(E)-amino-[amino-[(2-anilino-2-phenylacetyl)amino]methylidene]azanium
SMILESN/[NH+]=C(\N)NC(=O)C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C15H17N5O/c16-15(20-17)19-14(21)13(11-7-3-1-4-8-11)18-12-9-5-2-6-10-12/h1-10,13,18H,17H2,(H3,16,19,20,21)/p+1
InChIKeyBZFFZDFHSGXNDS-UHFFFAOYSA-O
XLogP-0.77
TPSA107.14 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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

2-anilino-2-phenylacetamide;ethane
CID 142824395
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
(2S)-2-anilino-2-phenylacetate
CID 6993805
(2R)-2-[4-(4-bromophenoxy)anilino]-N-carbamoyl-2-phenylacetamide
CID 25355237
(2S)-2-anilino-1,2-diphenylethanone
CID 36689702
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
(2S)-N-(methylcarbamoyl)-2-phenyl-2-(4-phenylanilino)acetamide
CID 7509578
2-(4-fluoroanilino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 46799428
(2R)-2-(benzhydrylamino)-N-carbamoyl-2-phenylacetamide
CID 8596163
(2R)-2-phenyl-2-(3-propan-2-ylanilino)acetamide
CID 33474317
(2S)-2-(4-ethylanilino)-2-phenylacetamide
CID 33403571
methyl 4-anilino-3-oxo-4-phenylbutanoate
CID 15062728

Frequently Asked Questions

What is the IUPAC name of (E)-amino-[amino-[(2-anilino-2-phenylacetyl)amino]methylidene]azanium?
The IUPAC name of (E)-amino-[amino-[(2-anilino-2-phenylacetyl)amino]methylidene]azanium (CID 145363334) is (E)-amino-[amino-[(2-anilino-2-phenylacetyl)amino]methylidene]azanium.
What is the SMILES notation for (E)-amino-[amino-[(2-anilino-2-phenylacetyl)amino]methylidene]azanium?
The canonical SMILES for (E)-amino-[amino-[(2-anilino-2-phenylacetyl)amino]methylidene]azanium is N/[NH+]=C(\N)NC(=O)C(Nc1ccccc1)c1ccccc1.
What is the InChIKey of (E)-amino-[amino-[(2-anilino-2-phenylacetyl)amino]methylidene]azanium?
The InChIKey is BZFFZDFHSGXNDS-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17N5O/c16-15(20-17)19-14(21)13(11-7-3-1-4-8-11)18-12-9-5-2-6-10-12/h1-10,13,18H,17H2,(H3,16,19,20,21)/p+1.
What are the key properties of (E)-amino-[amino-[(2-anilino-2-phenylacetyl)amino]methylidene]azanium?
(E)-amino-[amino-[(2-anilino-2-phenylacetyl)amino]methylidene]azanium has a molecular weight of 284.34 g/mol, XLogP of -0.77, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-amino-[amino-[(2-anilino-2-phenylacetyl)amino]methylidene]azanium is sourced from PubChem (CID 145363334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).