(Z)-3-[benzyl(formyl)amino]-N-methylprop-2-enamide

C12H14N2O2 — CID 139378805

IUPAC(Z)-3-[benzyl(formyl)amino]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C\N(C=O)Cc1ccccc1
InChIInChI=1S/C12H14N2O2/c1-13-12(16)7-8-14(10-15)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,13,16)/b8-7-
InChIKeyFEQACGHGVMGGAO-FPLPWBNLSA-N
MW218.26 g/mol
LogP0.90
Rot. Bonds5

About (Z)-3-[benzyl(formyl)amino]-N-methylprop-2-enamide

(Z)-3-[benzyl(formyl)amino]-N-methylprop-2-enamide (PubChem CID 139378805) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (Z)-3-[benzyl(formyl)amino]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[benzyl(formyl)amino]-N-methylprop-2-enamide
PubChem CID139378805
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(Z)-3-[benzyl(formyl)amino]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C\N(C=O)Cc1ccccc1
InChIInChI=1S/C12H14N2O2/c1-13-12(16)7-8-14(10-15)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,13,16)/b8-7-
InChIKeyFEQACGHGVMGGAO-FPLPWBNLSA-N
XLogP0.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[benzyl(formyl)amino]-N-methylprop-2-enamide?
The IUPAC name of (Z)-3-[benzyl(formyl)amino]-N-methylprop-2-enamide (CID 139378805) is (Z)-3-[benzyl(formyl)amino]-N-methylprop-2-enamide.
What is the SMILES notation for (Z)-3-[benzyl(formyl)amino]-N-methylprop-2-enamide?
The canonical SMILES for (Z)-3-[benzyl(formyl)amino]-N-methylprop-2-enamide is CNC(=O)/C=C\N(C=O)Cc1ccccc1.
What is the InChIKey of (Z)-3-[benzyl(formyl)amino]-N-methylprop-2-enamide?
The InChIKey is FEQACGHGVMGGAO-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-13-12(16)7-8-14(10-15)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,13,16)/b8-7-.
What are the key properties of (Z)-3-[benzyl(formyl)amino]-N-methylprop-2-enamide?
(Z)-3-[benzyl(formyl)amino]-N-methylprop-2-enamide has a molecular weight of 218.26 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[benzyl(formyl)amino]-N-methylprop-2-enamide is sourced from PubChem (CID 139378805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).