(Z)-2-[(2-azidophenyl)methylideneamino]-N-methyl-3-(4-methylphenyl)prop-2-enamide

C18H17N5O — CID 177452407

IUPAC(Z)-2-[(2-azidophenyl)methylideneamino]-N-methyl-3-(4-methylphenyl)prop-2-enamide
SMILESCNC(=O)C(=C/c1ccc(C)cc1)/N=C/c1ccccc1N=[N+]=[N-]
InChIInChI=1S/C18H17N5O/c1-13-7-9-14(10-8-13)11-17(18(24)20-2)21-12-15-5-3-4-6-16(15)22-23-19/h3-12H,1-2H3,(H,20,24)/b17-11-,21-12+
InChIKeySIPSIBVWLPQTKU-NHJUXKLCSA-N
MW319.37 g/mol
LogP4.14
Rot. Bonds5

About (Z)-2-[(2-azidophenyl)methylideneamino]-N-methyl-3-(4-methylphenyl)prop-2-enamide

(Z)-2-[(2-azidophenyl)methylideneamino]-N-methyl-3-(4-methylphenyl)prop-2-enamide (PubChem CID 177452407) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is (Z)-2-[(2-azidophenyl)methylideneamino]-N-methyl-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-[(2-azidophenyl)methylideneamino]-N-methyl-3-(4-methylphenyl)prop-2-enamide
PubChem CID177452407
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name(Z)-2-[(2-azidophenyl)methylideneamino]-N-methyl-3-(4-methylphenyl)prop-2-enamide
SMILESCNC(=O)C(=C/c1ccc(C)cc1)/N=C/c1ccccc1N=[N+]=[N-]
InChIInChI=1S/C18H17N5O/c1-13-7-9-14(10-8-13)11-17(18(24)20-2)21-12-15-5-3-4-6-16(15)22-23-19/h3-12H,1-2H3,(H,20,24)/b17-11-,21-12+
InChIKeySIPSIBVWLPQTKU-NHJUXKLCSA-N
XLogP4.14
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-azido-4-(4-methylphenyl)but-3-en-2-one
CID 101033473
2-azido-5-methylbenzaldehyde
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[2-[(2-azidophenyl)methylideneamino]phenyl]-(4-bromophenyl)methanone
CID 102193953
ethyl 2-azido-3-(4-methylphenyl)prop-2-enoate
CID 72739560
(Z)-2-azido-3-(4-bromophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 135073165
N-[(4-methylphenyl)methylidene]benzamide
CID 4606839
N-(2-azidophenyl)acetamide
CID 91902655
2-azido-N-(2-azidobenzoyl)benzamide
CID 15319919
N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide
CID 135531553
1-azido-2-[(E)-4-azidobut-1-enyl]benzene
CID 165349366
1,3-diazido-2-methylbenzene
CID 71379514
methyl 2-azido-5-formylbenzoate
CID 118695193

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(2-azidophenyl)methylideneamino]-N-methyl-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-[(2-azidophenyl)methylideneamino]-N-methyl-3-(4-methylphenyl)prop-2-enamide (CID 177452407) is (Z)-2-[(2-azidophenyl)methylideneamino]-N-methyl-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-[(2-azidophenyl)methylideneamino]-N-methyl-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-[(2-azidophenyl)methylideneamino]-N-methyl-3-(4-methylphenyl)prop-2-enamide is CNC(=O)C(=C/c1ccc(C)cc1)/N=C/c1ccccc1N=[N+]=[N-].
What is the InChIKey of (Z)-2-[(2-azidophenyl)methylideneamino]-N-methyl-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is SIPSIBVWLPQTKU-NHJUXKLCSA-N. The full InChI is InChI=1S/C18H17N5O/c1-13-7-9-14(10-8-13)11-17(18(24)20-2)21-12-15-5-3-4-6-16(15)22-23-19/h3-12H,1-2H3,(H,20,24)/b17-11-,21-12+.
What are the key properties of (Z)-2-[(2-azidophenyl)methylideneamino]-N-methyl-3-(4-methylphenyl)prop-2-enamide?
(Z)-2-[(2-azidophenyl)methylideneamino]-N-methyl-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 319.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(2-azidophenyl)methylideneamino]-N-methyl-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 177452407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).