[(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 2-phenylcyclopropane-1-carboxylate

C18H19N3O2 — CID 19294151

IUPAC[(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 2-phenylcyclopropane-1-carboxylate
SMILESCc1c(N)cccc1/C(N)=N/OC(=O)C1CC1c1ccccc1
InChIInChI=1S/C18H19N3O2/c1-11-13(8-5-9-16(11)19)17(20)21-23-18(22)15-10-14(15)12-6-3-2-4-7-12/h2-9,14-15H,10,19H2,1H3,(H2,20,21)
InChIKeyYGSFIYGUFDZCJG-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.54
Rot. Bonds4

About [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 2-phenylcyclopropane-1-carboxylate

[(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 2-phenylcyclopropane-1-carboxylate (PubChem CID 19294151) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 2-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 2-phenylcyclopropane-1-carboxylate
PubChem CID19294151
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name[(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 2-phenylcyclopropane-1-carboxylate
SMILESCc1c(N)cccc1/C(N)=N/OC(=O)C1CC1c1ccccc1
InChIInChI=1S/C18H19N3O2/c1-11-13(8-5-9-16(11)19)17(20)21-23-18(22)15-10-14(15)12-6-3-2-4-7-12/h2-9,14-15H,10,19H2,1H3,(H2,20,21)
InChIKeyYGSFIYGUFDZCJG-UHFFFAOYSA-N
XLogP2.54
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 4-phenylbenzoate
CID 19294123
trans-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino] (1R,2R)-2-phenylcyclopropane-1-carboxylate
CID 5406560
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165
[(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 2-(4-methylbenzoyl)benzoate
CID 19294119
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
octyl 2-phenylcyclopropane-1-carboxylate
CID 91709958
cis-[(E)-(4-bromophenyl)methylideneamino] (1S,2R)-2-phenylcyclopropane-1-carboxylate
CID 7434609
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 2-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 19296353
[(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylate
CID 19294159
N-methoxy-2-phenylcyclopropane-1-carboxamide
CID 72524749

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 2-phenylcyclopropane-1-carboxylate?
The IUPAC name of [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 2-phenylcyclopropane-1-carboxylate (CID 19294151) is [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 2-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 2-phenylcyclopropane-1-carboxylate?
The canonical SMILES for [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 2-phenylcyclopropane-1-carboxylate is Cc1c(N)cccc1/C(N)=N/OC(=O)C1CC1c1ccccc1.
What is the InChIKey of [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 2-phenylcyclopropane-1-carboxylate?
The InChIKey is YGSFIYGUFDZCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11-13(8-5-9-16(11)19)17(20)21-23-18(22)15-10-14(15)12-6-3-2-4-7-12/h2-9,14-15H,10,19H2,1H3,(H2,20,21).
What are the key properties of [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 2-phenylcyclopropane-1-carboxylate?
[(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 2-phenylcyclopropane-1-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 2-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 19294151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).